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REVIEW 4 major objections 4 minor 36 references

Pressure-induced structural and superconducting transitions in black arsenic

T0 review · 4 major / 4 minor · reviewed 2026-08-09 · deepseek-v4-flash

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Pith's one-line read Black arsenic becomes a superconductor under pressure, with distinct ~3 K and ~4.5 K transition temperatures tied to two different crystal structures.

desk verdict A useful phase-diagram update for black arsenic with a plausible but not fully established 4.5 K superconducting plateau in the host-guest phase. read the letter →

arxiv 2502.01955 v1 pith:O77ABSXM submitted 2025-02-04 cond-mat.supr-con cond-mat.mtrl-scicond-mat.str-el

Y. Y. Wu , L. Mu , Y. L. Zhang , D. Z. Dai , K. Meng , S. Y. Huang , X. Zhang , S. C. Huang
show 3 more authors
J. Chen H. G. Yan S. Y. Li
This is my paper · ORCID
classification cond-mat.supr-concond-mat.mtrl-scicond-mat.str-el PACS 74.62.Fj62.50.-p
keywords blackarsenichigh-pressuresuperconductivitystructuralphasetransitionsimplecubicincommensuratehost-guestRamanspectroscopydiagram
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

The paper sets out to establish how black arsenic, a layered semiconductor, transforms under pressure up to 58 GPa and when it becomes superconducting. On the basis of Raman spectra and four-probe resistance measurements, it claims that black arsenic turns into gray arsenic at 1.51 GPa, into simple cubic arsenic at 25.9 GPa, and into an incommensurate host-guest arsenic phase at 44.8 GPa. Superconductivity appears at 25.4 GPa, right at the cubic-phase boundary, with a transition temperature pinned near 3 K across the entire cubic phase, and it jumps to about 4.5 K above 43 GPa in the host-guest phase. The paper uses these results to update the structural and superconducting phase diagram of black arsenic, and the observed transition sequence matches the lowest-enthalpy sequence from calculations. A sympathetic reader would care because the result suggests that one elemental semiconductor can host two distinct pressure-driven superconducting states, each tied to a specific crystal structure.

What carries the argument

The central machinery is a sequence of four arsenic structures — puckered layered black arsenic, rhombohedral gray arsenic, simple cubic arsenic, and incommensurate host-guest arsenic — tracked by two experimental probes and cross-checked by calculations. Raman mode tracking provides the structural transitions: the gray-arsenic modes appear at 1.51 GPa, vanish above 25.9 GPa, and two new modes appear at 44.8 GPa; the phonon density of states and enthalpy-difference calculations identify those new modes with the host-guest phase and show that the lowest-enthalpy structure changes at pressures compatible with the Raman sequence. Four-probe resistance measurements then attach a superconducting transition temperature to each high-pressure phase, defining $T_c$ as the onset of the resistance drop. The link between structural transition and superconductivity is the load-bearing mechanism: each new metallic phase coincides with a distinct $T_c$ plateau.

What would settle it

An in-situ synchrotron X-ray diffraction study of black arsenic between 26 and 58 GPa would settle the structural half: finding simple cubic arsenic between 26 and 43 GPa and the incommensurate host-guest phase above 44.8 GPa would confirm the assignments, while any other structure would falsify them. A magnetic susceptibility measurement above 43 GPa looking for a diamagnetic Meissner signal would settle whether the 4.5 K resistance drop is bulk superconductivity or a filamentary artifact.

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Extended reading notes

Core claim

Starting from metastable black arsenic, the paper argues for a well-defined pressure sequence: b-As to g-As at 1.51 GPa, g-As to c-As at 25.9 GPa, and c-As to incommensurate host-guest arsenic at 44.8 GPa. Raman spectroscopy tracks the sequence through the appearance of the gray-arsenic modes at 1.51 GPa, their disappearance above 25.9 GPa, and the emergence of two new modes at 44.8 GPa that match peaks in the calculated phonon density of states of the host-guest phase. Resistance measurements show a superconducting drop beginning at 25.4 GPa, with $T_c$ remaining nearly constant around 3 K between 25.4 and 39.5 GPa, then rising steeply to about 4.5 K at 43 GPa and staying near 4.5 K up to 57.7 GPa. Field-dependent measurements at 57.7 GPa suppress the transition and give an estimated upper critical field of about 0.35 T. These observations are assembled into a phase diagram in which the two superconducting plateaus are associated respectively with simple cubic arsenic and incommensurate host-guest arsenic.

Load-bearing premise

The load-bearing premise is that the high-pressure phases are correctly identified from Raman fingerprints alone, without in-situ X-ray diffraction, and that the resistance drops truly mark bulk superconductivity rather than filaments; if the new modes at 44.8 GPa are not the incommensurate host-guest phase, or the zero resistance is not Meissner-screened, then the structure-specific $T_c$ plateaus collapse.

Editorial extensions

If this is right

  • Above 25.4 GPa, the simple cubic phase of black arsenic is a superconductor with $T_c$ pinned near 3 K across the entire 25 to 40 GPa stability range.
  • Above 43 GPa, entering the incommensurate host-guest phase raises $T_c$ to a new plateau around 4.5 K, roughly 50 percent higher than the cubic-phase plateau.
  • The superconducting transition is suppressed by magnetic field at 57.7 GPa, with an estimated zero-temperature upper critical field of about 0.35 T, consistent with a low-field superconducting state.
  • The observed structural transition pressures of 1.51, 25.9, and 44.8 GPa agree with the lowest-enthalpy sequence from calculations, providing an experimental benchmark for first-principles phase diagrams of arsenic.

Reading between the lines

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

  • Because the structural assignments rest on Raman spectra alone, a direct synchrotron X-ray diffraction run between 26 and 58 GPa could confirm whether the 4.5 K plateau genuinely belongs to the incommensurate host-guest phase; the paper does not perform such diffraction.
  • If the host-guest attribution holds, arsenic becomes a clean elemental case of superconductivity surviving in an incommensurate composite lattice, and the 4.5 K plateau gives a specific pressure window for measuring gap symmetry and pairing-related properties.
  • The nearly pressure-independent 3 K plateau in the simple cubic phase suggests that the pairing is insensitive to lattice compression within that structure, so a theory of c-As superconductivity can be tested against a constant $T_c$ rather than a monotonic trend.
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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

4 major / 4 minor

Summary. The manuscript reports high-pressure Raman and resistance measurements of black arsenic (b-As) up to 58 GPa, together with DFT enthalpy and phonon-DOS calculations. The authors identify a sequence of structural transitions (b-As to gray arsenic at 1.51 GPa, to simple cubic arsenic at 25.9 GPa, and to an incommensurate host-guest phase at 44.8 GPa) and observe superconductivity with Tc near 3 K in the simple cubic phase, followed by a higher Tc plateau near 4.5 K above 43 GPa, which they attribute to the host-guest phase. The paper updates the structural and superconducting phase diagram of arsenic starting from metastable b-As.

Significance. If fully established, the result would extend the known pressure-temperature phase diagram of arsenic by showing that two distinct superconducting plateaus (near 3 K and near 4.5 K) are tied to two different high-pressure crystal structures. The study combines transport measurements with independent DFT enthalpy and AIMD calculations, and the core observation of zero-resistance superconductivity in the c-As phase between 25.4 and 39.5 GPa is on solid ground. The DFT calculations are parameter-free and are not fit to the measured transition pressures, which is a genuine strength. However, the higher-Tc plateau in the host-guest phase currently rests on weaker experimental evidence because of the sample and pressure-medium mismatch between Raman and resistance runs, the nonzero residual resistance in the 4.5 K transitions, and the acknowledged absence of Meissner or susceptibility data. The paper is likely to be of interest to the high-pressure and superconductivity communities, provided these load-bearing points are addressed or the claims are appropriately qualified.

major comments (4)
  1. [Section III, Fig. 4(c) and accompanying text] The central claim of a 4.5 K superconducting plateau in the hg-As phase is not supported by the data shown. The text explicitly states that the superconducting transition in this pressure range exhibits nonzero resistance and that this 'is likely caused by some degree of pressure inhomogeneity.' A nonzero-resistance onset is not evidence of a bulk superconducting transition. To retain the claim, the authors must either provide a zero-resistance transition in the 43-57.7 GPa range or present additional evidence (e.g., susceptibility data) that establishes bulk superconductivity. Otherwise, the 4.5 K plateau should be presented as a tentative feature that requires confirmation.
  2. [Section III, Fig. 2 vs. Fig. 4; Section II] The structural assignment of the hg-As phase is based solely on Raman spectra measured on a ~150-nm flake in a stainless-steel DAC with silicone-oil PTM, whereas the resistance data were obtained on a bulk fragment in a Cu-Be DAC with no PTM. The phase boundary at 44.8 GPa is therefore transferred between different specimens and pressure environments. Since the no-PTM conditions can shift structural transition pressures by several GPa, the association of the 4.5 K feature with the hg-As phase is not firmly established. The authors should either perform in-situ structural characterization on the same sample used for resistance measurements, or clearly discuss this limitation and soften the structural assignment of the high-Tc plateau.
  3. [Abstract and Conclusion; last paragraph of Section III] The paper acknowledges that no susceptibility measurements were performed to confirm the Meissner effect, yet the abstract and conclusion state as established fact that superconductivity appears in the hg-As phase above 43 GPa with Tc around 4.5 K. Given the nonzero residual resistance in those runs and the absence of a bulk-superconductivity signature, the claims in the abstract and Fig. 5 go beyond what the data support. The authors should qualify these claims and clearly mark the hg-As superconducting plateau as provisional until zero-resistance or Meissner data are obtained.
  4. [Section III, Fig. 3(a) and text] The statement that the observed transition pressures 'align with' the lowest-enthalpy transitions is not quantitatively substantiated. The enthalpy curves in Fig. 3(a) are not shown on a scale that allows the reader to compare the calculated transition pressures (e.g., the c-As/hg-As crossing) with Raman values (25.9 and 44.8 GPa). Providing the calculated transition pressures or a numerical comparison would make the support for the phase assignments more transparent and would strengthen the paper.
minor comments (4)
  1. [Section II] There are typographical artifacts in the Methods text: 'V ASP' should be 'VASP', 'PA W' should be 'PAW', 'thermotat' should be 'thermostat'. Also, the phrase 'multi-ternimal' in Fig. 1's caption should be 'multi-terminal'.
  2. [Section III, Fig. 2(f)] The color or symbol coding of the data points in Fig. 2(f) is not described in the caption, making it difficult to match the plotted Raman shifts to the modes mentioned in the text. Adding a legend or explicit labels would improve readability.
  3. [References] The paper cites Refs. [9] and [10] for the pressure dependence of Tc in g-As, but the comparison between those earlier data sets and the present c-As plateau would be more informative if the differences in starting material and pressure-transmitting conditions were explicitly discussed.
  4. [Section III, inset of Fig. 4(d)] The GL fit for µ0Hc2(0) uses a formula with a single free parameter, but the uncertainty of the fit and the number of field points are not stated. Reporting the fit residuals and the error bar on µ0Hc2(0) would make the estimate more reliable.

Circularity Check

0 steps flagged · score 0.0 of 10

No significant circularity: the structural and superconducting claims rest on independent Raman, resistance, and DFT calculations, with no fitted parameter renamed as a prediction.

full rationale

The paper's derivation chain is self-contained in the sense that the structural transition pressures come from direct Raman spectroscopic observations (disappearance of g-As modes, appearance of NM1 and NM2), the superconducting Tc values come from independent resistance measurements, and the DFT enthalpy and phonon DOS calculations are not fitted to those measured values. The statement that 'the sequence of lowest-enthalpy transitions matches the structural phase transitions observed in our Raman experiments' is an independent consistency check, not a circular reduction: the enthalpies are computed from unconstrained first-principles total energies, and the hg-As mode assignment is supported by a separately computed phonon DOS (NM1 and NM2 near 220 and 260 cm−1) plus prior XRD literature, not by this paper's own fitting equations. The Ginzburg-Landau fit to the upper critical field is peripheral and does not feed back into the central Tc or phase-assignment claims. The acknowledged absence of susceptibility measurements and the use of Raman-only phase identification in a different DAC are experimental limitations that affect certainty, but they are not circularity. No parameter is fitted to a subset and then reported as a prediction, and no load-bearing claim is justified solely by a self-citation. Therefore the circularity score is 0.

Assumptions & free parameters 1 free parameters · 4 assumptions · 0 invented entities

The central claims rest on four domain assumptions: DFT-PBE accuracy, Raman-based phase identification without XRD, room-temperature pressure calibration, and resistance-based superconductivity identification. The only fitted number is the GL upper critical field, which is peripheral. No ad hoc entities are introduced.

free parameters (1)
  • mu0Hc2(0) = ~0.35 T
    Fitted from magnetic-field-dependent superconducting transitions at 57.7 GPa using the Ginzburg-Landau formula; used only to estimate the upper critical field, not to derive the central Tc claim.
assumptions (4)
  • domain assumption PBE-GGA DFT without dispersion correction adequately ranks enthalpies of b-As, g-As, c-As, and hg-As phases.
    The enthalpy differences in Fig. 3(a) and the AIMD transition at 30 GPa depend on the DFT functional; PBE may misestimate van der Waals binding in layered b-As, and no vdW correction is reported (Section II, Fig. 3).
  • domain assumption Raman peak disappearance and appearance can identify c-As and hg-As phases without X-ray diffraction.
    The c-As transition at 25.9 GPa is inferred from vanishing g-As modes, and hg-As from new NM1/NM2 modes matched to phonon DOS and Ref. 25; no XRD is performed (Section III, Fig. 2).
  • domain assumption Ruby fluorescence pressure calibration at room temperature remains valid at low temperatures.
    All pressures were calibrated at room temperature with no PTM in resistance runs, so low-temperature pressures and pressure gradients are unquantified (Section II, Fig. 4).
  • domain assumption Zero resistance and field suppression are sufficient to establish superconductivity in the absence of a Meissner measurement.
    The paper labels the transitions superconducting, then notes the absence of susceptibility data to confirm the Meissner effect (Section III, final paragraph).

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Pith. "Pith review of Pressure-induced structural and superconducting transitions in black arsenic." pith.science (2026). https://pith.science/paper/O77ABSXM

@misc{pith2026250201955,
  author       = {Pith},
  title        = {Pith review of: Pressure-induced structural and superconducting transitions in black arsenic},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/O77ABSXM}},
  note         = {Machine review of arXiv:2502.01955}
}
abstract

We report high-pressure Raman spectra and resistance measurements of black arsenic (b-As) up to 58 GPa, along with phonon density of states (DOS) and enthalpy calculations for four reported arsenic phases up to 50 GPa. It is found that metastable b-As transforms into gray arsenic (g-As) phase at a critical pressure of 1.51 GPa, followed by subsequent transitions to simple cubic arsenic (c-As) and incommensurate host-guest arsenic (hg-As) phases at 25.9 and 44.8 GPa, respectively. Superconductivity emerges above 25 GPa in the c-As phase, with the superconducting transition temperature ($T$$\rm_c$) remaining nearly a constant of 3 K. Upon further compression, $T$$\rm_c$ steeply increases to a higher value around 4.5 K in the incommensurate hg-As phase above 43 GPa. We use our results to update the structural and superconducting phase diagrams under pressure for the novel semiconductor, black arsenic.

Figures

Figures reproduced from arXiv: 2502.01955 by the authors.

Figure 1
Figure 1. FIG. 1. (a) Side view of the atomic structure of b-As. The [PITH_FULL_IMAGE:figures/full_fig_p002_1.png] view at source ↗
Figure 2
Figure 2. FIG. 2. (a) Pressure-dependent Raman spectra of a [PITH_FULL_IMAGE:figures/full_fig_p003_2.png] view at source ↗
Figure 3
Figure 3. FIG. 3. (a) Calculated enthalpy differences per atom of g-As, [PITH_FULL_IMAGE:figures/full_fig_p004_3.png] view at source ↗
Figures from the paper (2 more)
Figure 4
Figure 4. Figure 4: FIG. 4. (a) Temperature dependence of resistance for b-As under pressures from 3.29 to 19.3 GPa. Low-temperature [PITH_FULL_IMAGE:figures/full_fig_p005_4.png]
Figure 5
Figure 5. Figure 5: FIG. 5. Temperature-pressure superconducting phase [PITH_FULL_IMAGE:figures/full_fig_p006_5.png]

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Works this paper leans on

36 extracted references · 30 canonical work pages

  1. [1]

    L. Li, Y. Yu, G. J. Ye, Q. Ge, X. Ou, H. Wu, D. Feng, X. H. Chen, and Y. Zhang, Black phosphorus field-effect transistors, Nat. Nanotechnol. 9, 372 (2014)

    work page 2014

  2. [2]

    Zhang, S

    S. Zhang, S. Guo, Z. Chen, Y. Wang, H. Gao, J. G´ omez- Herrero, P. Ares, F. Zamora, Z. Zhu, and H. Zeng, Recent progress in 2D group-V A semiconductors: from theory to experiment, Chem. Soc. Rev. 47, 982 (2018)

    work page 2018

  3. [3]

    Batool, M

    S. Batool, M. Idrees, S.-T. Han, and Y. Zhou, 2D layers of group V A semiconductors: fundamental properties and potential applications, Adv. Sci. 10, 2203956 (2022)

    work page 2022

  4. [4]

    Zhang, Y

    L. Zhang, Y. Wang, J. Lv, and Y. Ma, Materials discovery at high pressures, Nat. Rev. Mater. 2, 17005 (2017)

    work page 2017

  5. [5]

    J. A. Flores-Livas, L. Boeri, A. Sanna, G. Profeta, R. Arita, and M. Eremets, A perspective on conventional high-temperature superconductors at high pressure: methods and materials, Phys. Rep. 856, 1 (2020)

    work page 2020

  6. [6]

    Karuzawa, M

    M. Karuzawa, M. Ishizuka, and S. Endo, The pressure effect on the superconducting transition temperature of black phosphorus, J. Phys.: Condens. Matter 14, 10759 (2002)

    work page 2002

  7. [7]

    J. Guo, H. Wang, F. von Rohr, W. Yi, Y. Zhou, Z. 7 Wang, S. Cai, S. Zhang, X. Li, Y. Li, J. Liu, K. Yang, A. Li, S. Jiang, Q. Wu, T. Xiang, R. J. Cava, and L. Sun, Electron-hole balance and the anomalous pressure- dependent superconductivity in black phosphorus, Phys. Rev. B 96, 224513 (2017)

    work page 2017

  8. [8]

    J. A. Flores-Livas, A. Sanna, A. P. Drozdov, L. Boeri, G. Profeta, M. Eremets, and S. Goedecker, Interplay between structure and superconductivity: metastable phases of phosphorus under pressure, Phys. Rev. Mater. 1, 024802 (2017)

    work page 2017

Show all 36 references
  1. [9]

    Kawamura and J

    H. Kawamura and J. Wittig, Pressure-induced superconductivity of arsenic: evidence for a structural phase transition, Physica B+C 135, 239 (1985)

    1985

  2. [10]

    A. L. Chen, S. P. Lewis, Z. Su, P. Y. Yu, and M. L. Cohen, Superconductivity in arsenic at high pressures, Phys. Rev. B 46, 5523 (1992)

    1992

  3. [11]

    Wittig, A study of the superconductivity of antimony under pressure and a search for superconductivity in arsenic, J

    J. Wittig, A study of the superconductivity of antimony under pressure and a search for superconductivity in arsenic, J. Phys. Chem. Solids 30, 1407 (1969)

    1969

  4. [12]

    M. A. Il’ina, E. S. Itskevich, and E. M. Dizhur, Superconductivity of bismuth, barium, and lead at pressures exceeding 100 Kbar, Sov. Phys. JETP 34, 1263 (1972)

    1972

  5. [13]

    Zhong, Q

    M. Zhong, Q. Xia, L. Pan, Y. Liu, Y. Chen, H.-X. Deng, J. Li, and Z. Wei, Thickness-dependent carrier transport characteristics of a new 2D elemental semiconductor: black arsenic, Adv. Funct. Mater. 28, 1802581 (2018)

    2018

  6. [14]

    Y. Chen, C. Chen, R. Kealhofer, H. Liu, Z. Yuan, L. Jiang, J. Suh, J. Park, C. Ko, H. S. Choe, J. Avila, M. Zhong, Z. Wei, J. Li, S. Li, H. Gao, Y. Liu, J. Analytis, Q. Xia, M. C. Asensio, and J. Wu, Black arsenic: a layered semiconductor with extreme in-plane anisotropy, Adv....

    2018

  7. [15]

    Zhong, H

    M. Zhong, H. Meng, S. Liu, H. Yang, W. Shen, C. Hu, J. Yang, Z. Ren, B. Li, Y. Liu, J. He, Q. Xia, J. Li, and Z. Wei, In-plane optical and electrical anisotropy of 2D black arsenic, ACS Nano 15, 1701 (2021)

    2021

  8. [16]

    Y. Wang, F. Chen, X. Guo, J. Liu, J. Jiang, X. Zheng, Z. Wang, M. M. Al-Makeen, F. Ouyang, Q. Xia, and H. Huang, In-plane phonon anisotropy and anharmonicity in exfoliated natural black arsenic, J. Phys. Chem. Lett. 12, 10753 (2021)

    2021

  9. [17]

    Sheng, C

    F. Sheng, C. Hua, M. Cheng, J. Hu, X. Sun, Q. Tao, H. Lu, Y. Lu, M. Zhong, K. Watanabe, T. Taniguchi, Q. Xia, Z.-A. Xu, and Y. Zheng, Rashba valleys and quantum Hall states in few-layer black arsenic, Nature 593, 56 (2021)

    2021

  10. [18]

    X. Cai, Q. Wei, and J. Xue, Scanning tunneling microscopy study of natural black arsenic, Phys. Rev. B 106, 125415 (2022)

    2022

  11. [19]

    R. Li, N. Han, Y. Cheng, and W. Huang, Pressure- induced metallization of black arsenic, J. Phys.: Condens. Matter 31, 505501 (2019)

    2019

  12. [20]

    C. Gao, R. Li, M. Zhong, R. Wang, M. Wang, C. Lin, L. Huang, Y. Cheng, and W. Huang, Stability and phase transition of metastable black arsenic under high pressure, J. Phys. Chem. Lett. 11, 93 (2020)

    2020

  13. [21]

    G. Du, F. Ke, W. Han, B. Chen, Q. Xia, J. Kang, and Y. Chen, Thermodynamic origins of structural metastability in two-dimensional black arsenic, J. Phys. Chem. Lett. 14, 8676 (2023)

    2023

  14. [22]

    H. J. Beister, K. Str¨ ossner, and K. Syassen, Rhombohedral to simple-cubic phase transition in arsenic under pressure, Phys. Rev. B 41, 5535 (1990)

    1990

  15. [23]

    Silas, J

    P. Silas, J. R. Yates, and P. D. Haynes, Density- functional investigation of the rhombohedral to simple- cubic phase transition of arsenic, Phys. Rev. B 78, 174101 (2008)

    2008

  16. [24]

    R. G. Greene, H. Luo, and A. L. Ruoff, bcc arsenic at 111 GPa: An x-ray structural study, Phys. Rev. B 51, 597 (1995)

    1995

  17. [25]

    Degtyareva, M

    O. Degtyareva, M. I. McMahon, and R. J. Nelmes, High- pressure structural studies of group-15 elements, High Pressure Res. 24, 319 (2004)

    2004

  18. [26]

    Kikegawa and H

    T. Kikegawa and H. Iwasaki, Pressure-induced rhombohedral-simple cubic structural phase transition in As, J. Phys. Soc. Jpn. 56, 3417 (1987)

    1987

  19. [27]

    Kresse and J

    G. Kresse and J. Furthm¨ uller, Efficient iterative schemes for ab initiototal-energy calculations using a plane-wave basis set, Phys. Rev. B 54, 11169 (1996)

    1996

  20. [28]

    P. E. Bl¨ ochl, Projector augmented-wave method, Phys. Rev. B 50, 17953 (1994)

    1994

  21. [29]

    J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865 (1996)

    1996

  22. [30]

    H. J. Monkhorst and J. D. Pack, Special points for Brillouin-zone integrations, Phys. Rev. B 13, 5188 (1976)

    1976

  23. [31]

    The ab-initio molecular dynamics (AIMD) simulations of 108 As atoms is modeled with the NPT ensemble under the pressure of 30 GPa

    as implemented in the Phonopy programme [32]. The ab-initio molecular dynamics (AIMD) simulations of 108 As atoms is modeled with the NPT ensemble under the pressure of 30 GPa. The temperature is set to fluctuation at around 300 K using the Langevin thermotat [33]. The simulat...

  24. [32]

    Parlinski, Z

    K. Parlinski, Z. Q. Li, and Y. Kawazoe, First-principles determination of the soft mode in cubic ZrO2, Phys. Rev. Lett. 78, 4063 (1997)

    1997

  25. [33]

    Togo and I

    A. Togo and I. Tanaka, First principles phonon calculations in materials science, Scr. Mater. 108, 1 (2015)

    2015

  26. [34]

    Ceriotti, G

    M. Ceriotti, G. Bussi, and M. Parrinello, Langevin equation with colored noise for constant-temperature molecular dynamics simulations, Phys. Rev. Lett. 102, 020601 (2009)

    2009

  27. [35]

    Tsuppayakorn-aek, W

    P. Tsuppayakorn-aek, W. Luo, R. Ahuja, and T. Bovornratanaraks, The high-pressure superconducting phase of arsenic, Sci. Rep. 8, 3026 (2018)

    2018

  28. [36]

    Z. Chi, X. Chen, F. Yen, F. Peng, Y. Zhou, J. Zhu, Y. Zhang, X. Liu, C. Lin, S. Chu, Y. Li, J. Zhao, T. Kagayama, Y. Ma, and Z. Yang, Superconductivity in pristine 2 Ha-MoS2 at ultrahigh pressure, Phys. Rev. Lett. 120, 037002 (2018)

    2018

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