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Understanding the origin of superconducting dome in electron-doped MoS$_2$ monolayer

T0 review · 2 major / 5 minor · reviewed 2026-08-11 · deepseek-v4-flash

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Pith's one-line read The superconducting dome in electron-doped monolayer MoS2 is caused by a doping-driven lattice transition, not by pairing physics in a fixed structure.

desk verdict A credible first-principles mechanism for the MoS2 superconducting dome via structural phase transitions, but the quantitative match to experiment is not yet pinned down because the critical doping shifts with the DFT electronic temperature. read the letter →

arxiv 2412.02822 v1 pith:KNE6BCAO submitted 2024-12-03 cond-mat.supr-con cond-mat.mtrl-sci

Nina Girotto Erhardt , Jan Berges , Samuel Poncé , Dino Novko This is my paper · ORCID
classification cond-mat.supr-concond-mat.mtrl-sci
keywords MoS2monolayersuperconductingdomechargedensitywaveelectron-phononcouplingsoftphononmodenonadiabaticeffectsphasetransitionfirst-principlescalculation
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

This paper sets out to explain the superconducting dome in electron-doped monolayer MoS2, the rise and fall of the critical temperature $T_c$ with added electrons, which experiments have seen but theory has not reproduced. The authors argue that the dome is a structural effect: within the undistorted $1\times1$ H phase $T_c$ rises monotonically, peaks near the doping at which a $2\times2$ charge-density-wave (CDW) reconstruction becomes stable, and then falls as the CDW, polaronic distortions, and the $1T'$ phase take over and harden the phonon modes that mediate pairing. Their first-principles calculations trace the rise to a strongly coupled acoustic phonon that softens with doping, and the fall to the same mode stiffening in the new phases. If correct, the result turns a puzzling dome shape into a phase-transition signature and should apply to other doped transition-metal dichalcogenides with competing CDW order.

What carries the argument

The load-bearing object is the $A_1$ acoustic phonon at the M point of the $1\times1$ Brillouin zone, a motion of molybdenum atoms toward sulfur atoms that couples strongly to the conduction electrons. Its frequency softens with doping and it dominates the Eliashberg spectral function; nonadiabatic phonon self-energy corrections renormalize and broaden it, roughly halving the electron-phonon coupling constant. The same mode, backfolded to the $\Gamma$ point of the $2\times2$ cell (the $M^*$ point), hardens when the CDW or $1T'$ structure stabilizes, providing the single mechanism that raises and then lowers $T_c$. A tight-binding model on an $18\sqrt{3}\times 18\sqrt{3}$ supercell extends the argument to intermediate dopings, where localized polaronic distortions and partial CDWs appear before the full CDW.

What would settle it

Measure the phonon dispersion of a gated monolayer MoS2 around $2\times 10^{14}\,\mathrm{cm}^{-2}$ with inelastic scattering: the M-point acoustic phonon should soften and then stiffen just as the $2\times2$ CDW superlattice appears, and the $T_c$ peak should coincide with that stiffening. If the soft mode appears at a clearly different doping, or if the lattice stays $1\times1$ H while $T_c$ falls, the structural explanation fails.

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Extended reading notes

Core claim

The central discovery is that the experimentally observed superconducting dome in electron-doped MoS2 monolayer can be recreated from first principles only when the doping-induced structural phase transitions are included. The paper finds a sequence of dynamically stable phases: the $1\times1$ H phase up to roughly $2.1\text{--}2.4\times 10^{14}\,\mathrm{cm}^{-2}$, a coexisting $2\times2$ CDW phase with triangular Mo displacements in a narrow window, a metastable $1T'$ phase separated by a large barrier, and a high-doping $2\times2$ CDW with a $2\sqrt{3}\times 2\sqrt{3}$ modulation. $T_c$ rises in the H phase, reaches a maximum of about 34.6 K near the H/$2\times2$ CDW coexistence (a representative value at $2.04\times 10^{14}\,\mathrm{cm}^{-2}$ is 29.9 K, reduced to 21.6 K with spin-orbit coupling), and decreases in the CDW and $1T'$ phases because the relevant phonon mode hardens and the Fermi-level density of states drops. The computed $T_c$ values overestimate the measured maxima of about 10.9–11.6 K, which the paper attributes to anharmonicity and the difference between a jellium background and a realistic gate. The paper concludes that the $1\times1$ H to $2\times2$ CDW transition is the leading origin of the dome.

Load-bearing premise

The calculation uses a fictitious electronic temperature of 800 K to smear the Fermi surface, and the doping at which the H lattice softens moves from about $1.5\times 10^{14}\,\mathrm{cm}^{-2}$ to $2.4\times 10^{14}\,\mathrm{cm}^{-2}$ when that temperature is lowered to 100 K, so the position of the theoretical dome peak depends on this numerical setting.

Editorial extensions

If this is right

  • In the $1\times1$ H phase, $T_c$ rises monotonically with doping, so the falling side of the dome is necessarily a structural effect rather than an electronic pairing effect.
  • The $2\times2$ CDW with triangular Mo displacements and the high-doping $2\sqrt{3}\times 2\sqrt{3}$ CDW should appear at the doping windows predicted here, in line with STM observations.
  • The metastable $1T'$ phase, with its large roughly 10 eV barrier from H, explains why gated samples do not show the $1T'$ transition while intercalated samples can.
  • Nonadiabatic corrections halve the electron-phonon coupling constant, and spin-orbit coupling reduces $T_c$ by about 30% at the highest dopings, so quantitative agreement with experiments requires both ingredients.
  • Between the H and full-CDW regions, polaronic distortions and partial CDWs suppress the Fermi-level density of states and contribute to the reduction of $T_c$.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

  • The paper leaves implicit that the dome peak in other TMDs such as WS2, TiSe2, and WTe2 should sit at the doping where their own soft phonon goes unstable, making a dome shape a fingerprint of a nearby CDW or ferroelectric instability.
  • The reported sensitivity to the 800 K electronic smearing suggests that using lower smearing would shift the theoretical phase boundaries toward the experimental maximum near $1.5\times 10^{14}\,\mathrm{cm}^{-2}$ while keeping the structural mechanism intact.
  • A testable extension is strain or substrate engineering: biaxial strain changes the CDW instability doping and should shift the $T_c$ dome peak in the direction predicted by the softening mode.
  • The intermediate polaronic and partial-CDW regime implies that transport and Raman anomalies seen at moderate doping in gated MoS2 may be intrinsic precursors of the CDW rather than extrinsic disorder.
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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

2 major / 5 minor

Summary. The manuscript presents first-principles DFT/DFPT/EPW calculations combined with a large-supercell tight-binding model to explain the superconducting dome in electron-doped monolayer MoS2. The authors compute the doping-dependent stability of the 1x1 H, 2x2 CDW, and 1T' phases and find that Tc rises with doping in the H phase, peaks near the H/2x2-CDW coexistence region, and decreases once the 1T' phase and high-doping CDW phases stabilize, producing a dome. A tight-binding model on an 18√3 x 18√3 supercell predicts polaronic distortions and partial CDWs in the intermediate doping regime. The calculated dome is compared with experimental Tc data from Refs. [3,36] and with Raman A1g phonon frequencies from Li-doped MoS2.

Significance. If the proposed mechanism holds, it would resolve a long-standing puzzle by attributing the superconducting dome in electron-doped MoS2 to a phonon-softening-induced structural transition, rather than to extrinsic disorder or to a doping-dependent Coulomb pseudopotential. The paper is significant because it connects CDW, polaronic, and superconducting instabilities in a single ab initio framework, and it explicitly treats nonadiabatic electron-phonon coupling and spin-orbit coupling, both of which are known to be important in TMDs. The manuscript is technically strong: it uses state-of-the-art methods, provides a comprehensive set of calculations across several phases, and is candid about its remaining approximations (anharmonicity, idealized gating geometry, and the electronic-temperature smearing). There is no circularity: the experimental dome is compared only after the calculations are completed, and the fixed parameters (mu* = 0.13, TB couplings) come from prior literature or previous DFPT fits.

major comments (2)
  1. [The low-doping 1x1 H phase and Discussion] The central quantitative comparison with the experimental dome is not established because the critical doping nc at which the H phase softens, and at which the calculated Tc peaks, depends strongly on the DFT electronic temperature T_scf. The paper reports nc = 2.1–2.38 × 10^14 cm^-2 for T_scf = 800 K but acknowledges (and Supplementary Figure 1 shows) that nc = 1.5 × 10^14 cm^-2 for T_scf = 100 K; the experimental dome maximum is near 1.5 × 10^14 cm^-2. Since the abstract and Discussion claim that the dome is 'successfully create[d]' and 'reconcile[s]' experimental observations, the use of the high-temperature boundary leaves the peak position shifted by roughly 0.6–0.9 × 10^14 cm^-2 (about 40%). The low-temperature (or converged zero-temperature) phase boundary should be computed and used for the comparison before the quantitative claim can be assessed.
  2. [Discussion] The predicted peak Tc is a factor of 2–3 larger than the measured values: the authors obtain 29.9 K (21.6 K with SOC) at n = 2.04 × 10^14 cm^-2, whereas the experimental maxima are 10.9 K and 11.6 K. The authors attribute the discrepancy to anharmonicity and to the difference between uniform doping and a gating geometry, but these corrections are not computed in this work. Because the paper's stated goal is to 'recreate' the experimental dome, the large absolute overshoot means that the dome is reproduced only in shape, not in magnitude. This should be stated explicitly in the abstract if no further calculations are added.
minor comments (5)
  1. [Abstract] The abstract says the work 'successfully recreat[es] the so far unresolved superconducting dome'; in view of the quantitative discrepancies discussed in the main text, a softer formulation such as 'reproducing the qualitative dome shape' would be more accurate.
  2. [Results, The 1T' phase] The text states that the H-to-1T' transition has a 'large energy barrier of around 10 eV'. This value is not justified; typical barriers in TMDs are on the order of 1 eV per formula unit. Please specify the supercell size and whether the barrier is per formula unit, or correct the value if it is a typographical error.
  3. [Discussion, Fig. 5(a)] Figure 5(a) compares theoretical phonon frequencies with data from Li-doped MoS2 using an upper axis in atomic ratio x, but the conversion from the theoretical electron density n to x is not stated. Please provide the conversion or explicitly mark the upper axis as schematic.
  4. [Results, Coexistence of 2x2 CDW and 1x1 H phases] The paper uses the term 'coexistence' for the 1x1 H and 2x2 CDW phases at the same doping, but does not define the thermodynamic condition (e.g., equal chemical potentials). Clarify whether 'coexistence' means that both structures are dynamically stable at the same doping or that they are true coexisting equilibrium phases.
  5. [Methods, Eq. (12)] In the nonadiabatic phonon self-energy expression, Eq. (12), the static term (second term) is subtracted at the unrenormalized frequencies; the notation for the Fermi factors f_nk and f_mk+q could be clarified by explicitly defining the band indices m,n in the text.

Circularity Check

0 steps flagged · score 0.0 of 10

No significant circularity: the dome is computed from first principles and compared to experiment only after the fact; parameter choices are not fitted to the target dome.

full rationale

The paper's central claim is that the superconducting dome in electron-doped MoS2 is caused by the 1x1 H to 2x2 CDW structural transition. This claim is supported by first-principles DFT/DFPT phonon calculations, nonadiabatic electron-phonon self-energies, and Migdal-Eliashberg/Allen-Dynes estimates of Tc. The key inputs - the Coulomb pseudopotential mu* = 0.13 (from Ref. [92]) and the tight-binding model parameters (fitted to DFPT data from earlier work, e.g., Ref. [64]) - are not fitted to the experimental dome of Refs. [3,36]. No equation in the paper defines the predicted Tc dome in terms of the measured Tc values, and no phase boundary is adjusted to reproduce the experimental peak. The comparison with experiment is made after the calculations and is described as qualitative ('Good qualitative agreement'). The acknowledged sensitivity of the critical doping nc to the DFT electronic temperature (nc = 1.5 to 2.4 x 10^14 cm^-2 between T_scf = 100 K and 800 K) is a verification gap concerning numerical convergence, not a circular step: the authors choose T_scf = 800 K for computational cost and explicitly note that a lower temperature would shift nc toward the experimental value. Finally, the self-citations (Refs. [63-65], [70], [77]) supply methodological tools - nonadiabatic phonon renormalization and a downfolded electron-lattice model - that were developed independently of the MoS2 dome result; they are not invoked as uniqueness theorems, and the central derivation does not reduce to their conclusions. Thus the derivation chain is self-contained against the target experimental quantity.

Assumptions & free parameters 4 free parameters · 5 assumptions · 0 invented entities

The central claim rests on standard first-principles methods and three key modeling choices: a constant mu* = 0.13, a DFT electronic temperature of 800 K, and a simplified TB model for the polaronic region. None of these are fitted to the experimental dome, but all affect the quantitative position and height of Tc. No new physical entities are introduced; polaron, CDW, and 1T' phases are previously established.

free parameters (4)
  • Coulomb pseudopotential mu* = 0.13
    Set to a constant literature value (Ref. 92). It enters the Allen-Dynes and Eliashberg Tc equations and is not recomputed per doping or per phase. The paper notes Tc changes by a few percent with mu* (Supplementary Figure 2).
  • DFT electronic temperature T_scf = 800 K (sensitivity 100-800 K)
    Used in the self-consistent electron density. The critical doping nc shifts from 1.5e14 to 2.4e14 cm-2 over this range, so the position of the theoretical dome peak depends on this choice.
  • EPW smearing = 20 meV
    Gaussian broadening for EPC interpolation in EPW; a standard numerical parameter, but it can affect the fine details of lambda near soft modes.
  • TB nearest-neighbor EPC parameters = Fitted to DFPT data (Refs. 64, 99)
    The large-supercell polaron and partial CDW results use a linearized nearest-neighbor electron-phonon model with parameters taken from earlier first-principles fits, not fitted to the experimental dome.
assumptions (5)
  • domain assumption PBE-DFT with fully-relativistic norm-conserving pseudopotentials yields reliable phonon frequencies and EPC matrix elements across all dopings.
    All phase boundaries and Tc inputs rely on PBE exchange-correlation; known band-structure errors in TMDs could shift the M-point instability and the resulting dome.
  • domain assumption Isotropic Migdal-Eliashberg theory with a single constant mu* describes Tc in this multi-valley 2D system.
    Anisotropic Eliashberg, anharmonicity, and gating geometry are mentioned as missing; the quoted Tc values are computed within this framework.
  • domain assumption The nonadiabatic phonon self-energy in the screened-screened approximation correctly renormalizes frequencies and linewidths.
    Used for all nonadiabatic alpha2F, lambda, and Tc results; the approximation is taken from the authors' earlier work (Ref. 64).
  • ad hoc to paper The simplified TB model with nearest-neighbor EPC, rigid-band doping, and q=0 phonons describes the polaronic and partial CDW region.
    This model is the only evidence for part of the intermediate-doping downslope of the dome; no full DFT validation of the 18 sqrt(3) x 18 sqrt(3) supercell distortions is provided.
  • domain assumption The 1x1 H, 2x2 CDW, 1T', and sqrt(3)-related phases are the relevant competing states; other reconstructions would not change the dome.
    The phase diagram is built from these phases; the 2 sqrt(3) x 2 sqrt(3) CDW is mentioned but not included in the EPC calculations.

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Pith. "Pith review of Understanding the origin of superconducting dome in electron-doped MoS$_2$ monolayer." pith.science (2026). https://pith.science/paper/KNE6BCAO

@misc{pith2026241202822,
  author       = {Pith},
  title        = {Pith review of: Understanding the origin of superconducting dome in electron-doped MoS$_2$ monolayer},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/KNE6BCAO}},
  note         = {Machine review of arXiv:2412.02822}
}
abstract

We investigate the superconducting properties of molybdenum disulphide (MoS$_2$) monolayer across a broad doping range, successfully recreating the so far unresolved superconducting dome. Our first-principles findings reveal several dynamically stable phases across the doping-dependent phase diagram. We observe a doping-induced increase in the superconducting transition temperature $T_c$, followed by a reduction in $T_c$ due to the formation of charge density waves (CDWs), polaronic distortions, and structural transition from the H to the 1T$'$ phase. Our work reconciles various experimental observations of CDWs in MoS$_2$ with its doping-dependent superconducting dome structure, which occurs due to the $1\times 1$ H to $2\times 2$ CDW phase transition.

Figures

Figures reproduced from arXiv: 2412.02822 by the authors.

Figure 1
Figure 1. FIG. 1 [PITH_FULL_IMAGE:figures/full_fig_p002_1.png] view at source ↗
Figure 2
Figure 2. FIG. 2 [PITH_FULL_IMAGE:figures/full_fig_p003_2.png] view at source ↗
Figure 3
Figure 3. FIG. 3 [PITH_FULL_IMAGE:figures/full_fig_p004_3.png] view at source ↗
Figures from the paper (3 more)
Figure 4
Figure 4. Figure 4: FIG. 4 [PITH_FULL_IMAGE:figures/full_fig_p004_4.png]
Figure 5
Figure 5. Figure 5: FIG. 5 [PITH_FULL_IMAGE:figures/full_fig_p005_5.png]
Figure 6
Figure 6. Figure 6: FIG. 6 [PITH_FULL_IMAGE:figures/full_fig_p006_6.png]

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Works this paper leans on

111 extracted references · 64 canonical work pages

  1. [1]

    Fiori, F

    G. Fiori, F. Bonaccorso, G. Iannaccone, T. Pala- cios, D. Neumaier, A. Seabaugh, S. K. Banerjee, and L. Colombo, Electronics based on two-dimensional ma- terials, Nat. Nanotechnol.9, 768 (2014)

    2014

  2. [2]

    Kumbhakar, J

    P. Kumbhakar, J. S. Jayan, A. Sreedevi Madhavikutty, P. R. Sreeram, A. Saritha, T. Ito, and C. S. Tiwary, Prospective applications of two-dimensional materials beyond laboratory frontiers: A review, iScience 26, 106671 (2023)

    2023

  3. [3]

    J. T. Ye, Y. J. Zhang, R. Akashi, M. S. Bahramy, R.Arita,andY.Iwasa,Superconductingdomeinagate- tuned band insulator, Science338, 1193 (2012)

    2012

  4. [4]

    Superconductivity in Cu_xTiSe_2

    E. Morosan, H. W. Zandbergen, B. S. Dennis, J. W. G. Bos, Y. Onose, T. Klimczuk, A. P. Ramirez, N. P. Ong, and R. J. Cava, Superconductivity in CuxTiSe2, Nat. Phys. 2, 544 (2006), arXiv:cond-mat/0606529

    work page Pith review arXiv 2006

  5. [5]

    B. M. Ludbrook, G. Levy, P. Nigge, M. Zonno, M. Schneider, D. J. Dvorak, C. N. Veenstra, S. Zh- danovich, D. Wong, P. Dosanjh, C. Straßer, A. Stöhr, S. Forti, C. R. Ast, U. Starke, and A. Damascelli, Evidence for superconductivity in Li-decorated mono- layer graphene, Proc. Natl. Acad. Sci. USA112, 11795 (2015), arXiv:1508.05925

    work page Pith review arXiv 2015

  6. [6]

    Direct Observation of Superconductivity in Calcium-Intercalated Bilayer Graphene by in situ Electrical Transport Measurements

    S. Ichinokura, K. Sugawara, A. Takayama, T. Taka- hashi, and S. Hasegawa, Superconducting calcium- intercalated bilayer graphene, ACS Nano 10, 2761 (2016), arXiv:1508.07079

    work page Pith review arXiv 2016

  7. [7]

    Nagamatsu, N

    J. Nagamatsu, N. Nakagawa, T. Muranaka, Y. Zenitani, and J. Akimitsu, Superconductivity at 39 K in magne- sium diboride, Nature410, 63 (2001)

    2001

  8. [8]

    Superconductivity of metallic boron in MgB_2

    J. Kortus, I. I. Mazin, K. D. Belashchenko, V. P. Antropov, and L. L. Boyer, Superconductivity of metal- lic boron in MgB2, Phys. Rev. Lett. 86, 4656 (2001), arXiv:cond-mat/0101446

    work page Pith review arXiv 2001

Show all 111 references
  1. [9]

    Sajadi, T

    E. Sajadi, T. Palomaki, Z. Fei, W. Zhao, P. Bement, C. Olsen, S. Luescher, X. Xu, J. A. Folk, and D. H. Cobden, Gate-induced superconductivity in a mono- layer topological insulator, Science 362, 922 (2018), arXiv:1809.04691

    2018 arXiv

  2. [10]

    X. Wang, K. Yasuda, Y. Zhang, S. Liu, K. Watanabe, T. Taniguchi, J. Hone, L. Fu, and P. Jarillo-Herrero, In- terfacialferroelectricityinrhombohedral-stackedbilayer transition metal dichalcogenides, Nat. Nanotechnol.17, 367 (2022), arXiv:2108.07659

    2022 arXiv

  3. [11]

    Zheng, Q

    Z. Zheng, Q. Ma, Z. Bi, S. de la Barrera, M.-H. Liu, N. Mao, Y. Zhang, N. Kiper, K. Watanabe, T. Taniguchi, J. Kong, W. A. Tisdale, R. Ashoori, N. Gedik, L. Fu, S.-Y. Xu, and P. Jarillo-Herrero, Un- conventional ferroelectricity in moiré heterostructures, Nature 588, 71 (2020)

    2020

  4. [12]

    Y. Xu, A. Ray, Y.-T. Shao, S. Jiang, K. Lee, D. We- ber, J. E. Goldberger, K. Watanabe, T. Taniguchi, D. A. Muller, K. F. Mak, and J. Shan, Coexisting ferromagnetic-antiferromagnetic state in twisted bilayer CrI3, Nat. Nanotechnol.17, 143 (2022)

    2022

  5. [13]

    Huang, G

    B. Huang, G. Clark, E. Navarro-Moratalla, D. R. Klein, R. Cheng, K. L. Seyler, D. Zhong, E. Schmidgall, M. A. McGuire, D. H. Cobden, W. Yao, D. Xiao, P. Jarillo- Herrero, and X. Xu, Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit, Nature 5...

    2017 arXiv

  6. [14]

    M. K. Bin Subhan, A. Suleman, G. Moore, P. Phu, M. Hoesch, H. Kurebayashi, C. A. Howard, and S. R. Schofield, Charge density waves in electron-doped molybdenum disulfide, Nano Lett. 21, 5516 (2021), arXiv:2108.07015

    2021 arXiv

  7. [15]

    Rossnagel, On the origin of charge-density waves in select layered transition-metal dichalcogenides, J

    K. Rossnagel, On the origin of charge-density waves in select layered transition-metal dichalcogenides, J. Phys. Condens. Matter 23, 213001 (2011)

    2011

  8. [16]

    J. Li, Y. Li, S. Du, Z. Wang, B.-L. Gu, S.-C. Zhang, K. He, W. Duan, and Y. Xu, Intrinsic mag- netic topological insulators in van der Waals lay- ered MnBi2Te4-family materials, Sci. Adv.5, eaaw5685 (2019), arXiv:1808.08608

    2019 arXiv

  9. [17]

    Y. Jia, P. Wang, C.-L. Chiu, Z. Song, G. Yu, B. Jäck, S. Lei, S. Klemenz, F. A. Cevallos, M. Onyszczak, N. Fishchenko, X. Liu, G. Farahi, F. Xie, Y. Xu, K. Watanabe, T. Taniguchi, B. A. Bernevig, R. J. Cava, L. M. Schoop, A. Yazdani, and S. Wu, Evidence for a monolayer exciton...

    2022 arXiv

  10. [18]

    K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Atomically thin MoS 2: A new direct-gap semiconductor, Phys. Rev. Lett. 105, 136805 (2010), arXiv:1004.0546

    2010 arXiv

  11. [19]

    Q. H. Wang, K. Kalantar-Zadeh, A. Kis, J. N. Cole- 10 man, and M. S. Strano, Electronics and optoelectron- ics of two-dimensional transition metal dichalcogenides, Nat. Nanotechnol. 7, 699 (2012)

    2012

  12. [20]

    Ge and A

    Y. Ge and A. Y. Liu, Phonon-mediated superconduc- tivity in electron-doped single-layer MoS 2: A first- principles prediction, Phys. Rev. B 87, 241408(R) (2013)

    2013

  13. [21]

    Costanzo, S

    D. Costanzo, S. Jo, H. Berger, and A. F. Mor- purgo, Gate-induced superconductivity in atomically thin MoS2 crystals, Nat. Nanotechnol. 11, 339 (2016), arXiv:1512.03222

    2016 arXiv

  14. [22]

    M. Kang, S. W. Jung, W. J. Shin, Y. Sohn, S. H. Ryu, T. K. Kim, M. Hoesch, and K. S. Kim, Holstein polaron in a valley-degenerate two-dimensional semiconductor, Nature Mater 17, 676 (2018), arXiv:1805.11198

    2018 arXiv

  15. [23]

    Garcia-Goiricelaya, J

    P. Garcia-Goiricelaya, J. Lafuente-Bartolome, I. G. Gurtubay, and A. Eiguren, Long-living carriers in a strong electron-phonon interacting two-dimensional doped semiconductor, Commun Phys 2, 1 (2019), arXiv:1905.05168

    2019 arXiv

  16. [24]

    van Efferen,Growth, phases and correlation effects of single-layer MoS2 and VS2, Dissertation, Universität zu Köln (2023)

    C. van Efferen,Growth, phases and correlation effects of single-layer MoS2 and VS2, Dissertation, Universität zu Köln (2023)

    2023

  17. [25]

    van Efferen, A

    C. van Efferen, A. Schobert, T. Y. Tounsi, L. Pätzold, M. Winter, M. Georger, A. Safeer, C. Krämer, J. Fis- cher, J. Berges, T. Michely, R. Mozara, T. Wehling, and W. Jolie, Inelastic tunneling into polaronic bound states in single-layer MoS2 (2024)

    2024

  18. [26]

    Rösner, S

    M. Rösner, S. Haas, and T. O. Wehling, Phase dia- gram of electron-doped dichalcogenides, Phys. Rev. B 90, 245105 (2014), arXiv:1404.4295

    2014 arXiv

  19. [27]

    Piatti, Q

    E. Piatti, Q. Chen, M. Tortello, J. Ye, and R. S. Gonnelli, Possible charge-density-wave signa- tures in the anomalous resistivity of Li-intercalated multilayer MoS2, Appl. Surf. Sci. 461, 269 (2018), arXiv:1802.08449

    2018 arXiv

  20. [28]

    H. L. Zhuang, M. D. Johannes, A. K. Singh, and R. G. Hennig, Doping-controlled phase transitions in single- layer MoS2, Phys. Rev. B96, 165305 (2017)

    2017

  21. [29]

    G. Eda, H. Yamaguchi, D. Voiry, T. Fujita, M. Chen, and M. Chhowalla, Photoluminescence from chemically exfoliated MoS2, Nano Lett.11, 5111 (2011)

    2011

  22. [30]

    Y. Xiao, M. Zhou, J. Liu, J. Xu, and L. Fu, Phase en- gineering of two-dimensional transition metal dichalco- genides, Sci. China Mater.62, 759 (2019)

    2019

  23. [31]

    W. Zhao, J. Pan, Y. Fang, X. Che, D. Wang, K. Bu, and F. Huang, Metastable MoS 2: Crystal structure, electronic band structure, synthetic approach and in- triguing physical properties, Chem. Eur. J. 24, 15942 (2018)

    2018

  24. [32]

    Q. Jin, N. Liu, B. Chen, and D. Mei, Mechanisms of semiconducting 2H to metallic 1T phase transition in two-dimensional MoS2 nanosheets, J. Phys. Chem. C 122, 28215 (2018)

    2018

  25. [33]

    Y.-C. Lin, D. O. Dumcenco, Y.-S. Huang, and K. Sue- naga, Atomic mechanism of the semiconducting-to- metallic phase transition in single-layered MoS2, Nat. Nanotechnol. 9, 391 (2014)

    2014

  26. [34]

    Cheng, A

    Y. Cheng, A. Nie, Q. Zhang, L.-Y. Gan, R. Shahbazian- Yassar, and U. Schwingenschlogl, Origin of the phase transition in lithiated molybdenum disulfide, ACS Nano 8, 11447 (2014)

    2014

  27. [35]

    Wypych, T

    F. Wypych, T. Weber, and R. Prins, Scanning tunneling microscopic investigation of 1T-MoS22, Chem. Mater. 10, 723 (1998)

    1998

  28. [36]

    Here we obtain Tc = 29 .9K for n = 2 .04 × 1014 cm−2, while this value is additionally reduced toTc = 21 .6K when SOC is included

    are Tc = 10.9K and Tc = 11.6K, respectively. Here we obtain Tc = 29 .9K for n = 2 .04 × 1014 cm−2, while this value is additionally reduced toTc = 21 .6K when SOC is included. In recent theoretical work, for the same doping concentration of n = 2 .02 × 1014 cm−2, a Tc = 19 K w...

  29. [37]

    Costanzo, H

    D. Costanzo, H. Zhang, B. A. Reddy, H. Berger, and A. F. Morpurgo, Tunnelling spectroscopy of gate- induced superconductivity in MoS2, Nat. Nanotechnol. 13, 483 (2018), arXiv:1806.03222

    2018 arXiv

  30. [38]

    Keimer, S

    B. Keimer, S. A. Kivelson, M. R. Norman, S. Uchida, and J. Zaanen, From quantum matter to high- temperature superconductivity in copper oxides, Nature 518, 179 (2015)

    2015

  31. [39]

    Paglione and R

    J. Paglione and R. L. Greene, High-temperature super- conductivity in iron-based materials, Nat. Phys.6, 645 (2010), arXiv:1006.4618

    2010 arXiv

  32. [40]

    C.S.Koonce, M.L.Cohen, J.F.Schooley, W.R.Hosler, and E. R. Pfeiffer, Superconducting transition temper- atures of semiconducting SrTiO3, Phys. Rev.163, 380 (1967)

    1967

  33. [41]

    X.-C. Pan, X. Chen, H. Liu, Y. Feng, Z. Wei, Y. Zhou, Z. Chi, L. Pi, F. Yen, F. Song, X. Wan, Z. Yang, B. Wang, G. Wang, and Y. Zhang, Pressure-driven dome-shaped superconductivity and electronic struc- tural evolution in tungsten ditelluride, Nat. Commun. 6, 7805 (2015), arXi...

    2015 arXiv

  34. [42]

    Paudyal, S

    H. Paudyal, S. Poncé, F. Giustino, and E. R. Margine, Superconducting properties of MoTe 2 from ab initio anisotropic Migdal-Eliashberg theory, Phys. Rev. B 101, 214515 (2020), arXiv:2109.04931

    2020 arXiv

  35. [43]

    Setty, M

    C. Setty, M. Baggioli, and A. Zaccone, Supercon- ducting dome in ferroelectric-type materials from soft mode instability, Phys. Rev. B 105, L020506 (2022), arXiv:2110.08114

    2022 arXiv

  36. [44]

    Appel, Soft-mode superconductivity in SrTiO 3−x, Phys

    J. Appel, Soft-mode superconductivity in SrTiO 3−x, Phys. Rev. 180, 508 (1969)

    1969

  37. [45]

    J. M. Edge, Y. Kedem, U. Aschauer, N. A. Spaldin, and A. V. Balatsky, Quantum critical origin of the supercon- ducting dome in SrTiO3, Phys. Rev. Lett.115, 247002 (2015), arXiv:1507.08275

    2015 arXiv

  38. [46]

    Yang, C.-J

    W. Yang, C.-J. Mo, S.-B. Fu, Y. Yang, F.-W. Zheng, X.- H. Wang, Y.-A. Liu, N. Hao, and P. Zhang, Soft-mode- phonon-mediated unconventional superconductivity in monolayer 1T′-WTe2, Phys. Rev. Lett. 125, 237006 (2020), arXiv:2005.11012

    2020 arXiv

  39. [47]

    J. Ma, R. Yang, and H. Chen, A large modulation of electron-phonon coupling and an emergent supercon- ducting dome in doped strong ferroelectrics, Nat. Com- mun. 12, 2314 (2021), arXiv:2104.09904

    2021 arXiv

  40. [48]

    Das and K

    T. Das and K. Dolui, Superconducting dome in MoS2 and TiSe2 generated by quasiparticle-phonon coupling, Phys. Rev. B91, 094510 (2015), arXiv:1411.3096

    2015 arXiv

  41. [49]

    Y. I. Joe, X. M. Chen, P. Ghaemi, K. D. Finkelstein, G. A. de la Peña, Y. Gan, J. C. T. Lee, S. Yuan, J. Geck, G. J. MacDougall, T. C. Chiang, S. L. Cooper, E. Frad- kin, and P. Abbamonte, Emergence of charge density wave domain walls above the superconducting dome in 1T-TiSe2...

    2014

  42. [50]

    A. F. Kusmartseva, B. Sipos, H. Berger, L. Forró, and E. Tutiš, Pressure induced superconductivity in pristine 1T-TiSe2, Phys. Rev. Lett.103, 236401 (2009)

    2009

  43. [51]

    M. D. Johannes and I. I. Mazin, Fermi surface nesting and the origin of charge density waves in metals, Phys. Rev. B 77, 165135 (2008), arXiv:0708.1744

    2008 arXiv

  44. [52]

    F. H. Yu, D. H. Ma, W. Z. Zhuo, S. Q. Liu, X. K. Wen, B. Lei, J. J. Ying, and X. H. Chen, Unusual competition of superconductivity and charge-density-wave state in a compressed topological kagome metal, Nat. Commun. 11 12, 3645 (2021), arXiv:2106.07896

    2021 arXiv

  45. [53]

    Zhu and H

    H. Zhu and H. Han, Charge density wave in low di- mensional materials, J. Phys. Conf. Ser.2338, 012028 (2022)

    2022

  46. [54]

    R. C. Morris, Connection between charge-density waves and superconductivity in NbSe2, Phys. Rev. Lett. 34, 1164 (1975)

    1975

  47. [55]

    A. M. Gabovich, A. I. Voitenko, J. F. Annett, and M. Ausloos, Charge- and spin-density-wave supercon- ductors, Supercond. Sci. Technol.14, R1 (2001)

    2001

  48. [56]

    Nagata, T

    S. Nagata, T. Aochi, T. Abe, S. Ebisu, T. Hagino, Y. Seki, and K. Tsutsumi, Superconductivity in the layered compound 2H-TaS2, J. Phys. Chem. Solids53, 1259 (1992)

    1992

  49. [57]

    G. M. Eliashberg, Interactions between electrons and lattice vibrations in a superconductor, Sov. Phys. JETP 11, 696 (1960)

    1960

  50. [58]

    W. L. McMillan, Transition temperature of strong- coupled superconductors, Phys. Rev.167, 331 (1968)

    1968

  51. [59]

    P. B. Allen and R. C. Dynes, Transition temperature of strong-coupled superconductors reanalyzed, Phys. Rev. B 12, 905 (1975)

    1975

  52. [60]

    Y. Fu, E. Liu, H. Yuan, P. Tang, B. Lian, G. Xu, J. Zeng, Z. Chen, Y. Wang, W. Zhou, K. Xu, A. Gao, C. Pan, M. Wang, B. Wang, S.-C. Zhang, Y. Cui, H. Y. Hwang, and F. Miao, Gated tuned superconductivity and phonon softening in monolayer and bilayer MoS2, npj Quant. Mater.2, 1 ...

    2017 arXiv

  53. [61]

    Setty, M

    C. Setty, M. Baggioli, and A. Zaccone, Anharmonic the- ory of superconductivity and its applications to emerg- ing quantum materials, J. Phys. Condens. Matter36, 173002 (2024), arXiv:2303.12977

    2024 arXiv

  54. [62]

    E. R. Margine and F. Giustino, Anisotropic Migdal- Eliashberg theory using Wannier functions, Phys. Rev. B 87, 024505 (2013), arXiv:1211.3345

    2013 arXiv

  55. [63]

    Marini and M

    G. Marini and M. Calandra, Phonon mediated superconductivity in field-effect doped molybde- num dichalcogenides, 2D Mater. 10, 015013 (2022), arXiv:2209.01973

    2022 arXiv

  56. [64]

    Girotto and D

    N. Girotto and D. Novko, Dynamical renormaliza- tion of electron-phonon coupling in conventional su- perconductors, Phys. Rev. B 107, 064310 (2023), arXiv:2212.08117

    2023 arXiv

  57. [65]

    Berges, N

    J. Berges, N. Girotto, T. Wehling, N. Marzari, and S. Poncé, Phonon self-energy corrections: To screen, or not to screen, Phys. Rev. X 13, 041009 (2023), arXiv:2212.11806

    2023 arXiv

  58. [66]

    Novko, Broken adiabaticity induced by Lifshitz tran- sition in MoS2 and WS2 single layers, Commun

    D. Novko, Broken adiabaticity induced by Lifshitz tran- sition in MoS2 and WS2 single layers, Commun. Phys. 3, 30 (2020), arXiv:1907.04766

    2020 arXiv

  59. [67]

    N. F. Q. Yuan, K. F. Mak, and K. T. Law, Possible topological superconducting phases of MoS2, Phys. Rev. Lett. 113, 097001 (2014), arXiv:1405.3519

    2014 arXiv

  60. [68]

    J. M. Lu, O. Zheliuk, I. Leermakers, N. F. Q. Yuan, U. Zeitler, K. T. Law, and J. T. Ye, Evidence for two- dimensional Ising superconductivity in gated MoS2, Sci- ence 350, 1353 (2015), arXiv:1506.07620

    2015 arXiv

  61. [69]

    B. T. Zhou, N. F. Q. Yuan, H.-L. Jiang, and K. T. Law, Ising superconductivity and majorana fermions in transition-metal dichalcogenides, Phys. Rev. B 93, 180501 (2016), arXiv:1510.06289

    2016 arXiv

  62. [70]

    Zheliuk, J

    O. Zheliuk, J. M. Lu, Q. H. Chen, A. A. E. Yumin, S. Golightly, and J. T. Ye, Josephson coupled Ising pair- ing induced in suspended MoS2 bilayers by double-side ionic gating, Nat. Nanotechnol.14, 1123 (2019)

    2019

  63. [71]

    Schobert, J

    A. Schobert, J. Berges, E. G. C. P. van Loon, M. A. Sentef, S. Brener, M. Rossi, and T. O. Wehling, Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials, SciPost Phys. 16, 046 (2024), arXiv:...

    2024 arXiv

  64. [72]

    F. J. Di Salvo, D. E. Moncton, and J. V. Waszczak, Electronic properties and superlattice formation in the semimetal TiSe2, Phys. Rev. B14, 4321 (1976)

    1976

  65. [73]

    X. Gan, L. Y. S. Lee, K.-y. Wong, T. W. Lo, K. H. Ho, D. Y. Lei, and H. Zhao, 2H/1T phase transition of multilayer MoS2 by electrochemical incorporation of S vacancies, ACS Appl. Energy Mater.1, 4754 (2018)

    2018

  66. [74]

    A. L. Friedman, A. T. Hanbicki, F. K. Perkins, G. G. Jernigan, J. C. Culbertson, and P. M. Campbell, Evi- dence for chemical vapor induced 2H to 1T phase tran- sition in MoX2 (X = Se, S) transition metal dichalco- genide films, Sci. Rep.7, 3836 (2017)

    2017

  67. [75]

    H. H. Huang, X. Fan, D. J. Singh, and W. T. Zheng, Firstprinciplesstudyon2H-1T ′ transitioninMoS 2 with copper, Phys. Chem. Chem. Phys.20, 26986 (2018)

    2018

  68. [76]

    S. J. R. Tan, S. Sarkar, X. Zhao, X. Luo, Y. Z. Luo, S. M. Poh, I. Abdelwahab, W. Zhou, T. Venkatesan, W. Chen, S. Y. Quek, and K. P. Loh, Temperature- and phase-dependent phonon renormalization in 1T′-MoS2, ACS Nano 12, 5051 (2018)

    2018

  69. [77]

    Sohier, E

    T. Sohier, E. Ponomarev, M. Gibertini, H. Berger, N. Marzari, N. Ubrig, and A. F. Morpurgo, Enhanced electron-phonon interaction in multivalley materials, Phys. Rev. X9, 031019 (2019), arXiv:1901.08012

    2019 arXiv

  70. [78]

    Garcia-Goiricelaya, J

    P. Garcia-Goiricelaya, J. Lafuente-Bartolome, I. G. Gurtubay, and A. Eiguren, Emergence of large nona- diabatic effects induced by the electron-phonon interac- tion on the complex vibrational quasiparticle spectrum of doped monolayer MoS2, Phys. Rev. B 101, 054304 (2020), arXi...

    2020 arXiv

  71. [79]

    Zhang, I.-L

    R. Zhang, I.-L. Tsai, J. Chapman, E. Khestanova, J. Waters, and I. V. Grigorieva, Superconductivity in potassium-doped metallic polymorphs of MoS2, Nano Lett. 16, 629 (2016), arXiv:1512.03264

    2016 arXiv

  72. [80]

    Holtgrewe, G

    K. Holtgrewe, G. Marini, and M. Calandra, Light-induced polaronic crystals in single-layer transition metal dichalcogenides, Nano Lett. 10.1021/acs.nanolett.4c03065 (2024)

    2024 doi

  73. [81]

    J.-H. Kim, G. Schönhoff, M. Lorke, T. O. Wehling, and K.-J. Yee, Ultrafast reversible phase engineering in MoTe2 thin film via polaron formation, J. Korean Phys. Soc. 84, 907 (2024)

    2024

  74. [82]

    Y. i. Veld, M. I. Katsnelson, A. J. Millis, and M. Rös- ner, Screening induced crossover between phonon- and plasmon-mediated pairing in layered superconductors, 2D Mater. 10, 045031 (2023), arXiv:2303.06220

    2023 arXiv

  75. [83]

    Sohier, M

    T. Sohier, M. Gibertini, I. Martin, and A. F. Mor- purgo, Unconventional gate-induced superconductivity in transition-metal dichalcogenides, arXiv:2409.11834 (2024)

    2024 arXiv

  76. [84]

    J. Lu, O. Zheliuk, Q. Chen, I. Leermakers, N. E. Hussey, U. Zeitler, and J. Ye, Full superconducting dome of strong Ising protection in gated monolayer WS2, Proc. Natl. Acad. Sci. USA 115, 3551 (2018), arXiv:1703.06369

    2018 arXiv

  77. [85]

    universal

    P. W. Anderson, K. A. Muttalib, and T. V. Ramakr- ishnan, Theory of the “universal” degradation ofTc in 12 high-temperature superconductors, Phys. Rev. B 28, 117 (1983)

    1983

  78. [86]

    L. R. Testardi, Structural instability, anharmonic- ity, and high-temperature superconductivity in A-15- structure compounds, Phys. Rev. B5, 4342 (1972)

    1972

  79. [87]

    P. B. Allen, Effect of soft phonons on superconductivity: A re-evaluation and a positive case for Nb2Sn, Solid State Commun. 14, 937 (1974)

    1974

  80. [88]

    Bardeen, L

    J. Bardeen, L. N. Cooper, and J. R. Schrieffer, Theory of superconductivity, Phys. Rev.108, 1175 (1957)

    1957

  81. [89]

    Marsiglio, Eliashberg theory of the critical temper- ature and isotope effect

    F. Marsiglio, Eliashberg theory of the critical temper- ature and isotope effect. Dependence on bandwidth, band-filling, and direct Coulomb repulsion, J. Low Temp. Phys.87, 659 (1992)

    1992

  82. [90]

    Berges,On the scope of McMillan’s formula, Master’s thesis, Universität Bremen (2016)

    J. Berges,On the scope of McMillan’s formula, Master’s thesis, Universität Bremen (2016)

    2016

  83. [91]

    Berges, ebmb: Solve multiband Eliashberg equations, zenodo.org/doi/10.5281/zenodo.13341224 (2016)

    J. Berges, ebmb: Solve multiband Eliashberg equations, zenodo.org/doi/10.5281/zenodo.13341224 (2016)

    2016 doi

  84. [92]

    Morel and P

    P. Morel and P. W. Anderson, Calculation of the su- perconducting state parameters with retarded electron- phonon interaction, Phys. Rev.125, 1263 (1962)

    1962

  85. [93]

    Schönhoff, M

    G. Schönhoff, M. Rösner, R. E. Groenewald, S. Haas, and T. O. Wehling, Interplay of screening and super- conductivity in low-dimensional materials, Phys. Rev. B 94, 134504 (2016), arXiv:1605.07489

    2016 arXiv

  86. [94]

    P. B. Allen and R. Silberglitt, Some effects of phonon dynamics on electron lifetime, mass renormalization, and superconducting transition temperature, Phys. Rev. B 9, 4733 (1974)

    1974

  87. [95]

    P. B. Allen and B. Mitrović, Theory of superconducting Tc, in Solid State Physics: Advances in Research and Applications, Vol. 37, edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic Press, New York, London, 1982)

    1982

  88. [96]

    Baroni, S

    S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory, Rev. Mod. Phys. 73, 515 (2001), arXiv:cond-mat/0012092

    2001 arXiv

  89. [97]

    Giannozzi, S

    P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. D. Corso, S. d. Giron- coli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerst- mann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin- Samos, N. Marzari, F...

    2009 arXiv

  90. [98]

    P. B. Allen, Neutron spectroscopy of superconductors, Phys. Rev. B6, 2577 (1972)

    1972

  91. [99]

    Marini, Nonadiabatic effects lead to the breakdown of the semiclassical phonon picture, Phys

    A. Marini, Nonadiabatic effects lead to the breakdown of the semiclassical phonon picture, Phys. Rev. B110, 024306 (2024), arXiv:2303.09869

    2024 arXiv

  92. [100]

    Berges, E

    J. Berges, E. G. C. P. van Loon, A. Schobert, M. Rös- ner, and T. O. Wehling, Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lat- tice instabilities from Dirac pseudospin physics in tran- sition metal dichalcogenides, Phys. Rev. B101, 155107 (2...

    2020 arXiv

  93. [101]

    Berges, A

    J. Berges, A. Schobert, E. G. C. P. van Loon, M. Rösner, and T. O. Wehling, elphmod: Python modules for electron-phonon models, doi.org/10.5281/ zenodo.5919991 (2017)

    2017

  94. [102]

    A. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Van- derbilt, and N. Marzari, wannier90: A tool for obtaining maximally-localised Wannier functions, Comput. Phys. Commun. 178, 685 (2008), arXiv:0708.0650

    2008 arXiv

  95. [103]

    Poncé, E

    S. Poncé, E. Margine, C. Verdi, and F. Giustino, EPW: Electron-phonon coupling, transport and super- conducting properties using maximally localized Wan- nier functions, Comput. Phys. Commun. 209, 116 (2016), arXiv:1604.03525

    2016 arXiv

  96. [104]

    Giustino, M

    F. Giustino, M. L. Cohen, and S. G. Louie, Electron- phonon interaction using Wannier functions, Phys. Rev. B 76, 165108 (2007)

    2007

  97. [105]

    Noffsinger, F

    J. Noffsinger, F. Giustino, B. D. Malone, C.-H. Park, S. G. Louie, and M. L. Cohen, EPW: A program for cal- culating the electron-phonon coupling using maximally localized Wannier functions, Comput. Phys. Commun. 181, 2140 (2010), arXiv:1005.4418

    2010 arXiv

  98. [106]

    H. Lee, S. Poncé, K. Bushick, S. Hajinazar, J. Lafuente- Bartolome, J. Leveillee, C. Lian, J.-M. Lihm, F. Macheda, H. Mori, H. Paudyal, W. H. Sio, S. Tiwari, M. Zacharias, X. Zhang, N. Bonini, E. Kioupakis, E. R. Margine, and F. Giustino, Electron-phonon physics from first pri...

    2023 arXiv

  99. [107]

    M. J. van Setten, M. Giantomassi, E. Bousquet, M. J. Verstraete, D. R. Hamann, X. Gonze, and G. M. Rig- nanese, The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopoten- tial table, Comput. Phys. Commun. 226, 39 (2018), arXiv:1710.10138

    2018 arXiv

  100. [108]

    Novko, Nonadiabatic coupling effects in MgB 2 reexamined, Phys

    D. Novko, Nonadiabatic coupling effects in MgB 2 reexamined, Phys. Rev. B 98, 041112(R) (2018), arXiv:1806.03212

    2018 arXiv

  101. [109]

    Marzari, A

    N. Marzari, A. A. Mostofi, J. R. Yates, I. Souza, and D. Vanderbilt, Maximally localized Wannier functions: Theory and applications, Rev. Mod. Phys. 84, 1419 (2012), arXiv:1112.5411

    2012 arXiv

  102. [110]

    Sohier, M

    T. Sohier, M. Calandra, and F. Mauri, Density func- tional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and appli- cation to flexural phonons in graphene, Phys. Rev. B 96, 075448 (2017), arXiv:1705.04973

    2017 arXiv

  103. [111]

    Poncé, M

    S. Poncé, M. Royo, M. Stengel, N. Marzari, and M. Gib- ertini, Long-range electrostatic contribution to electron- phonon couplings and mobilities of two-dimensional and bulk materials, Phys. Rev. B107, 155424 (2023), arXiv:2207.10190. ACKNOWLEDGMENTS Useful discussions with Ra...

    2023 arXiv

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