Tunable Interfacial Thermal Conductance in Graphene/Germanene van der Waals Heterostructure using an Optimized Interlayer Potential

Bheema Lingam Chittari; Santosh Mogurampelly; Sapta Sindhu Paul Chowdhury; Sourav Thapliyal

REVIEW 2 major objections 4 minor 44 references

Tunable Interfacial Thermal Conductance in Graphene/Germanene van der Waals Heterostructure using an Optimized Interlayer Potential

T0 review · 2 major / 4 minor · reviewed 2026-08-05 · deepseek-v4-flash

Challenge this review Re-run · record.json Download PDF Read on arXiv ↗ Review JSON

Pith's one-line read Compressing a graphene/germanene interface by 5% raises its heat flow to about 136% of normal, while stretching it lowers the flow to about 70%.

desk verdict First Gr/Ge interlayer LJ potential and MD ITC values; qualitative strain trends look right, but the quantitative 136%/70% claim needs a clearer heat-capacity definition and DFT validation at the strained geometry. read the letter →

arxiv 2508.07614 v1 pith:NUEGSLCL submitted 2025-08-11 cond-mat.mes-hall cond-mat.mtrl-sci

Sapta Sindhu Paul Chowdhury , Sourav Thapliyal , Bheema Lingam Chittari , Santosh Mogurampelly This is my paper · ORCID

classification cond-mat.mes-hallcond-mat.mtrl-sci

keywords interfacialthermalconductancegraphene/germaneneheterostructureLennard-JonesinterlayerpotentialstraintunabilityphonondensityofstatesmoleculardynamicsvanderWaalsrelaxationmethod

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 seeks to establish that the interfacial thermal conductance of a graphene/germanene van der Waals heterostructure can be tuned by external strain, and that the tunability is driven by strain-induced shifts in the phonon spectra of the two layers. To do this, the authors build a pairwise Lennard-Jones interlayer potential fitted to density-functional-theory binding energies, then run classical molecular-dynamics heat-relaxation simulations. They report that 5% compressive strain along the heat-flow direction raises the conductance to roughly 136% of its unstrained value, while 5% tensile strain lowers it to about 70%. They also find that higher temperature and stronger interlayer coupling increase the conductance for both heat-flow directions. The practical stake is that device-scale heat management could be controlled by mechanical strain rather than material redesign.

What carries the argument

The key object is the optimized pairwise Lennard-Jones potential $\Phi(r_{ij}) = 4\epsilon[(\sigma/r_{ij})^{12} - (\sigma/r_{ij})^6]$, with $\epsilon = 0.017$ eV and $\sigma = 3.67$ Å, fitted to the DFT-D3 binding-energy curve of the heterostructure as a function of rigid interlayer separation. It is the only interlayer interaction term in the molecular-dynamics Hamiltonian and is what makes simulations feasible for this lattice-mismatched interface. The mechanism that explains the strain response is spectral overlap: the phonon densities of states of graphene and germanene overlap mainly at low frequency, and strain moves those spectra relative to each other, opening or closing phonon chann

What would settle it

A decisive check would be a density-functional-theory calculation of the binding energy per atom of the graphene/germanene interface at in-plane strains of $\pm5\%$ at the relaxed interlayer distance, compared with the optimized Lennard-Jones potential at the same geometry. If the deviation is comparable to the 1.17 meV/atom figure cited at 5% compression, the strain-tunability ratios (136% and 70%) would need re-evaluation. Experimentally, a time-domain thermoreflectance measurement of the interface thermal conductance under controlled uniaxial or biaxial strain would directly test the predic

Watch

Extended reading notes

Core claim

The central claim is that the interfacial thermal conductance (ITC) of the graphene/germanene heterostructure is strongly and asymmetrically responsive to in-plane strain. Using an optimized Lennard-Jones interlayer potential with $\epsilon = 0.017$ eV and $\sigma = 3.67$ Å, the authors simulate heat relaxation between the two layers and find that 5% compressive strain in the heat-flow direction increases the ITC to ~136% of the pristine value, whereas 5% tensile strain reduces it to ~70%. The mechanism is traced to the phonon density of states: compression blueshifts the phonon spectra of both monolayers, enlarging the spectral overlap that carries heat across the interface, while tension r

Load-bearing premise

The load-bearing premise is that the interlayer Lennard-Jones potential, fitted only to the binding-energy curve for rigid, unstrained layer separations, remains accurate when the heterostructure is compressed or stretched by $\pm5\%$ along the heat-flow direction.

Editorial extensions

If this is right

A 5% compressive strain applied along the heat-flow direction raises the interfacial thermal conductance to about 136% of the unstrained value; a 5% tensile strain lowers it to about 70%.
The interfacial conductance grows monotonically with temperature and with the strength of the interlayer van der Waals coupling, for both directions of heat flow.
Heat flows more easily from graphene to germanene than in the reverse direction, because graphene's heat capacity rises faster with temperature and its atomic density is higher.
The optimized Lennard-Jones parameters reproduce the DFT interlayer distance (3.52 Å) and germanene buckling (0.71 Å), and are intended for further simulations of this heterostructure, including twisted layers.

Reading between the lines

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

If the strain response is as strong as reported, residual strain in device fabrication could matter as much as material choice in setting interface thermal resistance—an implication the authors leave implicit.
The spectral-overlap argument suggests a quantitative extension: an integrated overlap of the layer-resolved phonon densities of states under strain should track the computed ITC, offering a cheap screening proxy for other 2D material pairs.
Because the interlayer potential is fitted only at equilibrium separations, the 136% and 70% strain figures are model predictions; reparameterizing against DFT binding energies computed at strained in-plane lattice constants would confirm or revise them.
The large unit cell contains all registries, so the same pairwise potential may transfer to twisted graphene/germanene interfaces, but the fit ignores out-of-plane buckling changes and flexural-phonon renormalization under strain.

Share X Bluesky LinkedIn Reddit HN

Editorial analysis

A structured set of objections, weighed in public.

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

Desk Editor's Note

read the letter

This paper delivers the first explicit interlayer Lennard-Jones potential for graphene/germanene, fitted to DFT-D3 binding energies, and the first MD interfacial thermal conductance values for this heterostructure. The LJ parameters (ε = 0.017 eV, σ = 3.67 Å) are new, and the fit captures the binding energy near the minimum, including the interlayer spacing and germanene buckling. The workflow is standard and the authors are transparent about the potential's deviation away from the minimum, even estimating a 0.08 eV error at 5% compression. The PDOS decomposition into in-plane and out-of-plane modes is a nice touch, and the direction-dependent anisotropy (Gr→Ge higher than Ge→Gr) is reasonably tied to heat capacities. No result is fitted to the target, so there is no circularity burden.

The soft spots are real but not fatal. First, Eq. (6) defines G = C_v/(Aτ) with an "effective" C_v that is never specified. The heat capacity computed in Eqs. (7)–(8) is for the whole Gr/Ge system. For the transient relaxation of two coupled bodies, the correct effective heat capacity is C_eff = C1 C2/(C1 + C2), not the total. If the total was used, the absolute ITC values could be off by a factor depending on the heat-capacity ratio. The reported ~0.44 MW/m²K is tiny compared to typical vdW interface values, e.g., graphene/silicene, so this needs clarification. Second, there are no error bars or replicate runs; the relaxation times are single fits. Third, the central strain-tunability claim rests on the LJ potential's accuracy at the strained interlayer separation. The authors acknowledge a 0.08 eV deviation at 5% compression but do not validate it with a DFT calculation at that strained geometry. This matters because the strain effect on ITC is governed by the change in interlayer force constants, not just the binding-energy minimum. The qualitative trend—compression increases ITC, tension suppresses it—is plausible and consistent with prior vdW interface studies, but the specific 136%/70% numbers are only as strong as the potential at that strained point.

Who is this for? If you work on thermal transport in 2D vdW heterostructures, especially Ge- or Si-based systems, this is a useful data point and a citable parameter set once the heat-capacity issue is sorted. I would not rely on the absolute values without checking their C_eff definition. The paper deserves a serious referee: send it to peer review rather than desk reject. A good referee should ask for the effective heat-capacity derivation, a DFT binding-energy check at the strained geometry, and basic statistical reporting. With those additions, this becomes a credible contribution.

Referee Report

2 major / 4 minor

Summary. The manuscript develops a pairwise Lennard-Jones interlayer potential for a graphene/germanene van der Waals heterostructure, fitting ε and σ to a DFT-D3 rigid-separation binding-energy curve (Sec. III B). The authors then perform classical MD simulations using the pump-probe relaxation method and compute ITC from Eq. (6). They report G ≈ 0.44 MW/m²K at 300 K for Gr→Ge heat flow, with monotonic increase with temperature and with interlayer coupling strength. The central claim is the strain tunability: in Fig. 4b, 5% compressive strain increases G to ~136% of the unstrained value, while 5% tensile strain decreases it to ~70%. The mechanism is attributed to strain-induced blueshift/redshift of the phonon density of states, increasing/decreasing spectral overlap between the layers (Sec. III D, Fig. 7).

Significance. The interlayer potential is obtained from external DFT-D3 data, not fitted to the target ITC, so the strain-tuning result is not circular in the usual sense. If the quantitative claim survives scrutiny, the work provides a simple transferable interlayer potential and a plausible strain-engineering route for Gr/Ge interfaces. The qualitative phonon-overlap mechanism is reasonable and consistent with the PDOS shown. However, two load-bearing points are currently not established: the definition/meaning of C_V in Eq. (6), and the transferability of the LJ potential to ±5% in-plane strain, which is the regime of the headline 136%/70% result. The paper itself concedes a binding-energy deviation of 0.08 eV (1.17 meV/atom) at 5% compression, and no DFT calculation is provided at the strained geometry.

major comments (2)

[Sec. II B, Eq. (6)] The symbol C_V is called the 'effective constant volume heat capacity' but is never defined. Equations (7) and (8) compute the total harmonic heat capacity of the combined Gr/Ge system using Phonopy. For two dissimilar bodies relaxing to mutual equilibrium, the relaxation time in Eq. (9) is governed by the effective heat capacity C_eff = C_Gr C_Ge/(C_Gr + C_Ge), not by the total C_V = C_Gr + C_Ge. Using the total heat capacity overestimates G and may distort strain ratios because C_eff(ε) is not necessarily proportional to C_V(ε). Please define C_eff explicitly, derive Eq. (6) from the two-body rate equations, and report per-layer heat capacities.
[Sec. III B/III C, Eqs. (4)-(5), Fig. 4(b)] The LJ potential is fitted only to the DFT-D3 binding-energy curve as a function of rigid interlayer separation at the unstrained 3x3/5x5 cell. The headline tunability claim is made at ±5% in-plane strain in the heat-flow direction. The paper concedes a 0.08 eV (1.17 meV/atom) deviation at 5% compressive strain and provides no DFT calculation at strained geometries. ITC strain dependence is controlled by the strain derivative of the interlayer force constants, i.e., the curvature and anharmonicity of E_b(d) at strained lattice constants, whereas the fit only constrains the minimum and long-range tail at one lattice constant. A fixed-parameter LJ potential cannot be assumed to transfer to ±5% in-plane strain. The authors should validate the potential against DFT-D3 at strained geometries or restrict the strain range to the validated region.

minor comments (4)

[Sec. II B, Eq. (8)] The denominator has a bracket error: '[exp(ℏω/kBT) − 1]²' should be '(exp(ℏω/kBT) − 1)²'. Also, the sum over qν is not written explicitly, but the notation is otherwise standard.
[Abstract and throughout] The units used (MW/m²K) are those of interfacial thermal conductance, not conductivity. Please use 'conductance' consistently in the abstract and text.
[Sec. III B, Eq. (2)] The cutoff r_c is mentioned as 20 Å in the text but is not defined in Eq. (2). Please state r_c = 20 Å explicitly in the equation or its vicinity.
[Fig. 4(b) caption] The caption states 'Gr to Ge heatflow' but does not define the sign of e as compressive/tensile. Please include the definition from Eq. (12) in the caption for clarity.

Circularity Check

0 steps flagged · score 0.0 of 10

No circularity: interlayer LJ parameters are fitted to external DFT-D3 binding energies; ITC, strain, and PDOS results are computed afterward, so no prediction reduces to its inputs.

full rationale

The paper's only fit is the LJ interlayer potential (Eq. 2), with parameters (epsilon = 0.017 eV, sigma = 3.67 Å) obtained by minimizing Eq. 4/5 against the DFT-D3 binding energy curve E_b(d) (Sec. III B, Fig. 2). The interfacial conductance G is then computed from a nonequilibrium relaxation simulation (Eq. 6) using tau from Eq. 9 and C_V from Phonopy; neither G, tau, nor the PDOS appears in the objective function. The 136%/70% strain tunability claim (Sec. III C, Fig. 4b) is therefore not a fitted quantity renamed as a prediction; it is a transport property evaluated with fixed parameters at strained geometries. The PDOS overlap argument (Sec. III D, Fig. 7) is a physically motivated interpretation of independently computed phonon spectra, not a circular derivation. The paper's self-citations (refs. 19, 37, 44) are background or secondary support and are not load-bearing; no uniqueness theorem or ansatz is imported from the authors' prior work. The manuscript explicitly concedes a validation gap: 'there is a slight deviation in the fitted binding energy curve using our optimized potential with the DFT data, beyond the minima. As a result, the calculations done for the strained structure may have some errors. However, the system with the largest compressive strain used in this work (5%) will have a deviation of 0.08 eV, or 1.17 meV/atom in the binding energy, which might not have any significant effect on the result' (Sec. III B). This is an extrapolation/accuracy concern about the fitted potential at strained geometries, not a circularity: the strained binding energy was not itself an input or target. Verdict: no significant circularity; score 0.

Assumptions & free parameters 2 free parameters · 5 assumptions · 0 invented entities

The central claim rests entirely on the fitted LJ potential and the DFT-D3 energies used to fit it, plus the transient relaxation model and the intralayer potentials taken from prior work. No new physical entities are introduced.

free parameters (2)

Lennard-Jones epsilon = 0.017 eV
Fitted to the DFT-D3 binding energy curve of the Gr/Ge heterostructure via the chi-squared objective in Eq. (5). This parameter controls the interlayer interaction strength and hence the interfacial thermal conductance.
Lennard-Jones sigma = 3.67 A
Fitted together with epsilon to the DFT-D3 binding energy curve. It sets the interlayer equilibrium distance and therefore controls the strain dependence of the interlayer forces.

assumptions (5)

domain assumption The PBE-GGA DFT-D3 binding energy curve is an accurate reference for graphene/germanene van der Waals interactions.
The entire interlayer potential is fitted to this curve (Sec. II A). If DFT-D3 misestimates the vdW binding, all subsequent MD results inherit the error.
domain assumption A central pairwise Lennard-Jones potential with no registry dependence is sufficient for the Gr/Ge interlayer interaction.
Sec. III B argues that because the 5x5 graphene / 3x3 germanene unit cell contains all stacking configurations, the sliding energy is constant and a three-body registry-dependent potential is unnecessary. This justifies using the simple LJ form for thermal transport.
domain assumption The optimized Tersoff potential for graphene and the Stillinger-Weber potential for germanene accurately describe intralayer interactions.
These potentials are taken from previous literature (Refs. 34, 36, 37) and are used throughout the MD simulations without revalidation in this paper.
domain assumption The transient relaxation formula G = Cv/(A*tau), with Cv obtained from Phonopy, correctly measures the interfacial thermal conductance.
Eq. (6) is stated without derivation, and the paper does not specify whether Cv is the total system heat capacity or the effective two-body heat capacity C1*C2/(C1+C2). This affects the absolute ITC values.
ad hoc to paper The fitted LJ potential remains sufficiently accurate at 5% compressive and tensile strain in the heat-flow direction.
The strain-dependent ITC is the central result, but the potential was fitted to the unstrained vertical binding energy curve. The paper admits a 0.08 eV deviation at 5% compression and assumes it is negligible without DFT validation at strained geometries.

how reviews work

0 comments

Cite this review

Pith. "Pith review of Tunable Interfacial Thermal Conductance in Graphene/Germanene van der Waals Heterostructure using an Optimized Interlayer Potential." pith.science (2026). https://pith.science/paper/NUEGSLCL

@misc{pith2026250807614,
  author       = {Pith},
  title        = {Pith review of: Tunable Interfacial Thermal Conductance in Graphene/Germanene van der Waals Heterostructure using an Optimized Interlayer Potential},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/NUEGSLCL}},
  note         = {Machine review of arXiv:2508.07614}
}

abstract

Accurately modeling interfacial thermal transport in van der Waals heterostructures is challenging due to the limited availability of interlayer interaction potentials. We develop a pairwise interlayer potential for graphene/germanene van der Waals heterostructure using the binding energy obtained from ab-initio density functional theory calculations and use it to calculate the interfacial thermal conductivity. Our calculations reveal that the interfacial thermal conductivity shows superior tunability with external strain. The phonon density of states calculations show a blueshift in the phonon spectra with an applied compressive strain in the direction of heat flow, increasing the interfacial thermal conductance to $\sim$136% of the unstrained value. In contrast, a tensile strain is found to cause an opposite effect, reducing the conductance to $\sim$70% of the unstrained value. Moreover, due to increased availability of phonons for heat transfer, both temperature and interaction strength are found to correlate positively with the interfacial thermal conductance for both directions of heat flow.

Figures

Figures reproduced from arXiv: 2508.07614 by the authors.

**Figure 2.** FIG. 2. Binding energy for Gr/Ge heterostructure with inter [PITH_FULL_IMAGE:figures/full_fig_p004_2.png] view at source ↗

**Figure 3.** FIG. 3. (a) The thermal relaxation time with temperature [PITH_FULL_IMAGE:figures/full_fig_p005_3.png] view at source ↗

Figures from the paper (3 more)

**Figure 4.** Figure 4: FIG. 4. (a) Interfacial thermal conductance of Gr/Ge het [PITH_FULL_IMAGE:figures/full_fig_p005_4.png]

**Figure 6.** Figure 6: FIG. 6. The relative constant volume specific heat capacity of [PITH_FULL_IMAGE:figures/full_fig_p006_6.png]

**Figure 7.** Figure 7: FIG. 7. The total phonon density of state with phonon angu [PITH_FULL_IMAGE:figures/full_fig_p007_7.png]

Discussion (0). Continue with ORCID to comment.

Reference graph

Works this paper leans on

44 extracted references · 28 canonical work pages

[1]

Chen , author X

author author J. Chen , author X. Xu , author J. Zhou ,\ and\ author B. Li ,\ title title Interfacial thermal resistance: Past, present, and future ,\ https://doi.org/10.1103/RevModPhys.94.025002 journal journal Rev. Mod. Phys. \ volume 94 ,\ pages 025002 ( year 2022 ) NoStop

doi:10.1103/revmodphys.94.025002 2022
[2]

\ Ong \ and\ author E

author author Z.-Y. \ Ong \ and\ author E. Pop ,\ title title Effect of substrate modes on thermal transport in supported graphene ,\ https://doi.org/10.1103/PhysRevB.84.075471 journal journal Phys. Rev. B \ volume 84 ,\ pages 075471 ( year 2011 ) NoStop

work page doi:10.1103/physrevb.84.075471 2011
[3]

Zhang , author P

author author P. Zhang , author P. Yuan , author X. Jiang , author S. Zhai , author J. Zeng , author Y. Xian , author H. Qin ,\ and\ author D. Yang ,\ title title A theoretical review on interfacial thermal transport at the nanoscale ,\ https://doi.org/https://doi.org/10.1002/smll.201702769 journal journal Small \ volume 14 ,\ pages 1702769 ( year 2018 ) ...

work page doi:10.1002/smll.201702769 2018
[4]

Zong , author X

author author Z. Zong , author X. Chen , author B. Yan , author Y. Xie , author J. Pang , author G. Li , author J. Hu , author Z. Wu , author B. Li , author H. Fang ,\ and\ author N. Yang ,\ title title Theoretical models on interfacial thermal conductance of nanoscale solid interfaces in chips: A mini review ,\ https://doi.org/10.1088/0256-307X/41/10/106...

work page doi:10.1088/0256-307x/41/10/106301 2024
[5]

author author K. S. \ Novoselov , author V. I. \ Falko , author L. Colombo , author P. R. \ Gellert , author M. G. \ Schwab ,\ and\ author K. Kim ,\ title title A roadmap for graphene ,\ https://doi.org/10.1038/nature11458 journal journal Nature \ volume 490 ,\ pages 192 ( year 2012 ) NoStop

work page doi:10.1038/nature11458 2012
[6]

author author A. K. \ Geim \ and\ author K. S. \ Novoselov ,\ title title The rise of graphene ,\ @noop journal journal Nature Materials \ volume 6 ,\ pages 183 ( year 2007 ) NoStop

work page 2007
[7]

author author A. A. \ Balandin , author S. Ghosh , author W. Bao , author I. Calizo , author D. Teweldebrhan , author F. Miao ,\ and\ author C. N. \ Lau ,\ title title Superior thermal conductivity of single-layer graphene ,\ https://doi.org/10.1021/nl0731872 journal journal Nano Letters \ volume 8 ,\ pages 902 ( year 2008 ) ,\ note pMID: 18284217 ,\ http...

doi:10.1021/nl0731872 2008
[8]

Ding , author Q.-X

author author Z. Ding , author Q.-X. \ Pei , author J.-W. \ Jiang , author W. Huang ,\ and\ author Y.-W. \ Zhang ,\ title title Interfacial thermal conductance in graphene/mos2 heterostructures ,\ https://doi.org/https://doi.org/10.1016/j.carbon.2015.10.046 journal journal Carbon \ volume 96 ,\ pages 888 ( year 2016 ) NoStop

work page doi:10.1016/j.carbon.2015.10.046 2015

Show all 44 references

[9]

Liu , author W

author author Y. Liu , author W. Wu , author S. Yang ,\ and\ author P. Yang ,\ title title Interfacial thermal conductance of graphene/mos2 heterointerface ,\ https://doi.org/https://doi.org/10.1016/j.surfin.2021.101640 journal journal Surfaces and Interfaces \ volume 28 ,\ pa...

2021
[10]

Hong \ and\ author J

author author Y. Hong \ and\ author J. S. \ Kretchmer ,\ title title Interfacial thermal transport between graphene and diamane ,\ https://doi.org/10.1063/5.0079462 journal journal The Journal of Chemical Physics \ volume 156 ,\ pages 164703 ( year 2022 ) ,\ https://arxiv.org/...

2022 doi
[11]

Liu , author J

author author B. Liu , author J. A. \ Baimova , author C. D. \ Reddy , author A. W.-K. \ Law , author S. V. \ Dmitriev , author H. Wu ,\ and\ author K. Zhou ,\ title title Interfacial thermal conductance of a silicene/graphene bilayer heterostructure and the effect of hydrogen...

2014 doi
[12]

Zhou , author H

author author J. Zhou , author H. Li , author H.-K. \ Tang , author L. Shao , author K. Han ,\ and\ author X. Shen ,\ title title Phonon thermal transport in silicene/graphene heterobilayer nanostructures: Effect of interlayer interactions ,\ @noop journal journal ACS omega \ ...

2022
[13]

Zhang , author Y

author author J. Zhang , author Y. Hong , author Z. Tong , author Z. Xiao , author H. Bao ,\ and\ author Y. Yue ,\ title title Molecular dynamics study of interfacial thermal transport between silicene and substrates ,\ https://doi.org/10.1039/C5CP03323C journal journal Phys. ...

2015 doi
[14]

Hiller , author R

author author D. Hiller , author R. Duffy , author V. Georgiev ,\ and\ author W. Weber ,\ title title Group-iv semiconductor materials for nanoelectronics and cryogenic electronics ,\ https://doi.org/https://doi.org/10.1002/pssa.202300429 journal journal physica status solidi ...

2023 doi
[15]

author author P. P. \ Rodriguez , author D. Sharma , author S. Like ,\ and\ author A. Smets ,\ title title Material study of germanium based thin films deposited by pecvd for multijunction solar cell applications ,\ in\ https://doi.org/10.1109/PVSC57443.2024.10749404 booktitle...

2024
[16]

Mehmood \ and\ author H

author author H. Mehmood \ and\ author H. Nasser ,\ title title Tcad simulation of germanium-based heterostructure solar cell employing molybdenum oxide as a hole-selective layer ,\ https://doi.org/10.1088/1361-651X/ad5b7b journal journal Modelling and Simulation in Materials ...

2024 doi
[17]

Shi , author D

author author S. Shi , author D. Pacifici ,\ and\ author A. Zaslavsky ,\ title title Fast and efficient germanium quantum dot photodetector with an ultrathin active layer ,\ https://doi.org/10.1063/5.0073355 journal journal Applied Physics Letters \ volume 119 ,\ pages 221108 ...

2021 doi
[18]

Yuhara , author D

author author J. Yuhara , author D. Matsuba , author M. Ono , author A. Ohta , author S. Miyazaki , author M. Araidai , author S. ichi Takakura , author M. Nakatake ,\ and\ author G. Le Lay ,\ title title Formation of germanene with free-standing lattice constant ,\ https://do...

2023
[19]

author author S. S. \ Paul Chowdhury , author S. Thapliyal ,\ and\ author S. Mogurampelly ,\ https://doi.org/https://doi.org/10.48550/arXiv.2411.14197 title Anomalous transition in thermal conductivity in germanene monolayer ( year 2024 ),\ https://arxiv.org/abs/arXiv:2411.141...

2024 doi arXiv
[20]

Cai , author C.-P

author author Y. Cai , author C.-P. \ Chuu , author C. M. \ Wei ,\ and\ author M. Y. \ Chou ,\ title title Stability and electronic properties of two-dimensional silicene and germanene on graphene ,\ https://doi.org/10.1103/PhysRevB.88.245408 journal journal Phys. Rev. B \ vol...

2013 doi
[21]

author author M. A. B. \ Hamid , author K. T. \ Chan , author C. H. \ Raymond Ooi , author H. Zainuddin , author N. Mohd Shah ,\ and\ author N. N. \ Shahrol Nidzam ,\ title title Structural stability and electronic properties of graphene/germanene heterobilayer ,\ https://doi....

2021
[22]

Wu , author Q

author author S. Wu , author Q. Zhou , author W. Ju , author Y. Wang , author Y. Yong , author X. Liu , author J. Hou ,\ and\ author Z. Z. \ and ,\ title title First-principles investigation on the sensitivity of germanene/graphene heterostructure toward methane gas ,\ https:/...

2023
[23]

Liu , author R

author author F. Liu , author R. Mao , author Z. Liu , author J. Du ,\ and\ author P. Gao ,\ title title Probing phonon transport dynamics across an interface by electron microscopy ,\ journal journal Nature \ https://doi.org/10.1038/s41586-025-09108-6 10.1038/s41586-025-09108...

2025 doi
[24]

Wen , author S

author author M. Wen , author S. Carr , author S. Fang , author E. Kaxiras ,\ and\ author E. B. \ Tadmor ,\ title title Dihedral-angle-corrected registry-dependent interlayer potential for multilayer graphene structures ,\ https://doi.org/10.1103/PhysRevB.98.235404 journal jou...

2018 doi
[25]

Ouyang , author I

author author W. Ouyang , author I. Azuri , author D. Mandelli , author A. Tkatchenko , author L. Kronik , author M. Urbakh ,\ and\ author O. Hod ,\ title title Mechanical and tribological properties of layered materials under high pressure: Assessing the importance of many-bo...

2020 doi
[26]

author author M. H. \ Naik , author I. Maity , author P. K. \ Maiti ,\ and\ author M. Jain ,\ title title Kolmogorov–crespi potential for multilayer transition-metal dichalcogenides: Capturing structural transformations in moiré superlattices ,\ https://doi.org/10.1021/acs.jpc...

2019 doi
[27]

Giannozzi , author S

author author P. Giannozzi , author S. Baroni , author N. Bonini , author M. Calandra , author R. Car , author C. Cavazzoni , author D. Ceresoli , author G. L. \ Chiarotti , author M. Cococcioni , author I. Dabo , author A. D. \ Corso , author S. Fabris , author G. Fratesi , a...

2009
[28]

Giannozzi , author O

author author P. Giannozzi , author O. Andreussi , author T. Brumme , author O. Bunau , author M. B. \ Nardelli , author M. Calandra , author R. Car , author C. Cavazzoni , author D. Ceresoli , author M. Cococcioni , author N. Colonna , author I. Carnimeo , author A. D. \ Cors...

2017
[29]

Vanderbilt ,\ title title Soft self-consistent pseudopotentials in a generalized eigenvalue formalism ,\ https://doi.org/10.1103/PhysRevB.41.7892 journal journal Phys

author author D. Vanderbilt ,\ title title Soft self-consistent pseudopotentials in a generalized eigenvalue formalism ,\ https://doi.org/10.1103/PhysRevB.41.7892 journal journal Phys. Rev. B \ volume 41 ,\ pages 7892 ( year 1990 ) NoStop

1990 doi
[30]

Prandini , author A

author author G. Prandini , author A. Marrazzo , author I. E. \ Castelli , author N. Mounet ,\ and\ author N. Marzari ,\ title title Precision and efficiency in solid-state pseudopotential calculations ,\ https://doi.org/10.1038/s41524-018-0127-2 journal journal npj Computatio...

2018 doi
[31]

Grimme , author J

author author S. Grimme , author J. Antony , author S. Ehrlich ,\ and\ author H. Krieg ,\ title title A consistent and accurate ab initio parametrization of density functional dispersion correction (dft-d) for the 94 elements h-pu ,\ https://doi.org/10.1063/1.3382344 journal j...

2010 doi
[32]

author author H. J. \ Monkhorst \ and\ author J. D. \ Pack ,\ title title Special points for brillouin-zone integrations ,\ https://doi.org/10.1103/PhysRevB.13.5188 journal journal Phys. Rev. B \ volume 13 ,\ pages 5188 ( year 1976 ) NoStop

1976 doi
[33]

Tersoff ,\ title title Modeling solid-state chemistry: Interatomic potentials for multicomponent systems ,\ https://doi.org/10.1103/PhysRevB.39.5566 journal journal Phys

author author J. Tersoff ,\ title title Modeling solid-state chemistry: Interatomic potentials for multicomponent systems ,\ https://doi.org/10.1103/PhysRevB.39.5566 journal journal Phys. Rev. B \ volume 39 ,\ pages 5566 ( year 1989 ) NoStop

1989 doi
[34]

Lindsay \ and\ author D

author author L. Lindsay \ and\ author D. A. \ Broido ,\ title title Optimized tersoff and brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene ,\ https://doi.org/10.1103/PhysRevB.81.205441 journal journal Ph...

2010 doi
[35]

author author F. H. \ Stillinger \ and\ author T. A. \ Weber ,\ title title Computer simulation of local order in condensed phases of silicon ,\ https://doi.org/10.1103/PhysRevB.31.5262 journal journal Phys. Rev. B \ volume 31 ,\ pages 5262 ( year 1985 ) NoStop

1985 doi
[36]

\ Jiang \ and\ author Y.-P

author author J.-W. \ Jiang \ and\ author Y.-P. \ Zhou ,\ https://doi.org/10.5772/intechopen.71767 title Handbook of Stillinger-Weber Potential Parameters for Two-Dimensional Atomic Crystals \ ( publisher IntechOpen ,\ address Rijeka ,\ year 2017 ) NoStop

2017 doi
[37]

Thapliyal , author S

author author S. Thapliyal , author S. S. \ Paul Chowdhury ,\ and\ author S. Mogurampelly ,\ title title Modeling germanene monolayer: Interaction potentials and insights into the phonon thermal conductivity ,\ in\ @noop booktitle Energy Materials and Devices ,\ editor edited ...

2024
[38]

Bitzek , author P

author author E. Bitzek , author P. Koskinen , author F. G\"ahler , author M. Moseler ,\ and\ author P. Gumbsch ,\ title title Structural relaxation made simple ,\ https://doi.org/10.1103/PhysRevLett.97.170201 journal journal Phys. Rev. Lett. \ volume 97 ,\ pages 170201 ( year...

2006 doi
[39]

Togo \ and\ author I

author author A. Togo \ and\ author I. Tanaka ,\ title title First principles phonon calculations in materials science ,\ @noop journal journal Scr. Mater. \ volume 108 ,\ pages 1 ( year 2015 ) NoStop

2015
[40]

author author A. H. \ Castro Neto , author F. Guinea , author N. M. R. \ Peres , author K. S. \ Novoselov ,\ and\ author A. K. \ Geim ,\ title title The electronic properties of graphene ,\ https://doi.org/10.1103/RevModPhys.81.109 journal journal Rev. Mod. Phys. \ volume 81 ,...

2009 doi
[41]

Bianco , author S

author author E. Bianco , author S. Butler , author S. Jiang , author O. D. \ Restrepo , author W. Windl ,\ and\ author J. E. \ Goldberger ,\ title title Stability and exfoliation of germanane: A germanium graphane analogue ,\ https://doi.org/10.1021/nn4009406 journal journal ...

2013 doi
[42]

author author A. K. \ Rappe , author C. J. \ Casewit , author K. S. \ Colwell , author W. A. \ Goddard ,\ and\ author W. M. \ Skiff ,\ title title Uff, a full periodic table force field for molecular mechanics and molecular dynamics simulations ,\ https://doi.org/10.1021/ja000...

1992 doi
[43]

author author A. N. \ Kolmogorov \ and\ author V. H. \ Crespi ,\ title title Registry-dependent interlayer potential for graphitic systems ,\ https://doi.org/10.1103/PhysRevB.71.235415 journal journal Phys. Rev. B \ volume 71 ,\ pages 235415 ( year 2005 ) NoStop

2005 doi
[44]

author author S. S. \ Paul Chowdhury , author A. Samudrala ,\ and\ author S. Mogurampelly ,\ title title Modeling interlayer interactions and phonon thermal transport in silicene bilayers ,\ https://doi.org/10.1103/PhysRevB.108.155436 journal journal Phys. Rev. B \ volume 108 ...

2023 doi

Pith tools

Reviewed August 5, 2026 · model on record in the stance chip above.

[1] [1]

Chen , author X

author author J. Chen , author X. Xu , author J. Zhou ,\ and\ author B. Li ,\ title title Interfacial thermal resistance: Past, present, and future ,\ https://doi.org/10.1103/RevModPhys.94.025002 journal journal Rev. Mod. Phys. \ volume 94 ,\ pages 025002 ( year 2022 ) NoStop

doi:10.1103/revmodphys.94.025002 2022

[2] [2]

\ Ong \ and\ author E

author author Z.-Y. \ Ong \ and\ author E. Pop ,\ title title Effect of substrate modes on thermal transport in supported graphene ,\ https://doi.org/10.1103/PhysRevB.84.075471 journal journal Phys. Rev. B \ volume 84 ,\ pages 075471 ( year 2011 ) NoStop

work page doi:10.1103/physrevb.84.075471 2011

[3] [3]

Zhang , author P

author author P. Zhang , author P. Yuan , author X. Jiang , author S. Zhai , author J. Zeng , author Y. Xian , author H. Qin ,\ and\ author D. Yang ,\ title title A theoretical review on interfacial thermal transport at the nanoscale ,\ https://doi.org/https://doi.org/10.1002/smll.201702769 journal journal Small \ volume 14 ,\ pages 1702769 ( year 2018 ) ...

work page doi:10.1002/smll.201702769 2018

[4] [4]

Zong , author X

author author Z. Zong , author X. Chen , author B. Yan , author Y. Xie , author J. Pang , author G. Li , author J. Hu , author Z. Wu , author B. Li , author H. Fang ,\ and\ author N. Yang ,\ title title Theoretical models on interfacial thermal conductance of nanoscale solid interfaces in chips: A mini review ,\ https://doi.org/10.1088/0256-307X/41/10/106...

work page doi:10.1088/0256-307x/41/10/106301 2024

[5] [5]

author author K. S. \ Novoselov , author V. I. \ Falko , author L. Colombo , author P. R. \ Gellert , author M. G. \ Schwab ,\ and\ author K. Kim ,\ title title A roadmap for graphene ,\ https://doi.org/10.1038/nature11458 journal journal Nature \ volume 490 ,\ pages 192 ( year 2012 ) NoStop

work page doi:10.1038/nature11458 2012

[6] [6]

author author A. K. \ Geim \ and\ author K. S. \ Novoselov ,\ title title The rise of graphene ,\ @noop journal journal Nature Materials \ volume 6 ,\ pages 183 ( year 2007 ) NoStop

work page 2007

[7] [7]

author author A. A. \ Balandin , author S. Ghosh , author W. Bao , author I. Calizo , author D. Teweldebrhan , author F. Miao ,\ and\ author C. N. \ Lau ,\ title title Superior thermal conductivity of single-layer graphene ,\ https://doi.org/10.1021/nl0731872 journal journal Nano Letters \ volume 8 ,\ pages 902 ( year 2008 ) ,\ note pMID: 18284217 ,\ http...

doi:10.1021/nl0731872 2008

[8] [8]

Ding , author Q.-X

author author Z. Ding , author Q.-X. \ Pei , author J.-W. \ Jiang , author W. Huang ,\ and\ author Y.-W. \ Zhang ,\ title title Interfacial thermal conductance in graphene/mos2 heterostructures ,\ https://doi.org/https://doi.org/10.1016/j.carbon.2015.10.046 journal journal Carbon \ volume 96 ,\ pages 888 ( year 2016 ) NoStop

work page doi:10.1016/j.carbon.2015.10.046 2015