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We perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…

Materials Science · Physics 2025-10-28 Bhawna Sahni , Yao Zhao , Zhen Li , Rajeev Dutt , Patrizio Graziosi , Neophytos Neophytou

Staking layered materials revealed to be a very powerful method to tailor their electronic properties. It has indeed been theoretically and experimentally shown that twisted bilayers of graphene (tBLG) with a rotation angle $\theta$,…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Omid Faizy Namarvar , Ahmed Missaoui , Laurence Magaud , Didier Mayou , Guy Trambly de Laissardière

We have studied temperature dependences of electron transport in graphene and its bilayer and found extremely low electron-phonon scattering rates that set the fundamental limit on possible charge carrier mobilities at room temperature. Our…

Mesoscale and Nanoscale Physics · Physics 2008-01-07 S. V. Morozov , K. S. Novoselov , M. I. Katsnelson , F. Schedin , D. C. Elias , J. A. Jaszczak , A. K. Geim

Electronic and transport properties of bilayer heterostructure under light irradiation are of fundamental interest to improve functionality of optoelectronic devices. We theoretically study the modification of transport properties of…

Mesoscale and Nanoscale Physics · Physics 2023-02-16 Pascal Stadler , Mikael Fogelström

The phonon thermal transport properties of twisted bi-layer graphene are investigated using lattice dynamics and the Boltzmann transport equation. The thermal conductivities of 13.2 and 21.8 twisted configurations are 56% and 36% lower than…

Mesoscale and Nanoscale Physics · Physics 2023-11-07 Shahid Ahmed , Shadab Alam , Ankit Jain

We calculate the temperature-dependent charge carrier transport of bilayer graphene (BLG) impacted by Coulomb impurity scattering within the random phase approximation. We find the polarizability is equal to the density of states at zero…

Mesoscale and Nanoscale Physics · Physics 2010-05-18 Min Lv , Shaolong Wan

We investigate the electron properties of the monolayer and bilayer silicene which is the honeycomb lattice consist of silicon atoms, including the optical conductivity and charged impurity scattering, due to the quasipatricle Dirac-like…

Strongly Correlated Electrons · Physics 2018-05-02 Chen-Huan Wu

Density functional perturbation theory is used to analyze electron-phonon interaction in bilayer graphene. The results show that phonon scattering in bilayer graphene bears more resemblance with bulk graphite than monolayer graphene. In…

Mesoscale and Nanoscale Physics · Physics 2010-11-29 K. M. Borysenko , J. T. Mullen , X. Li , Y. G. Semenov , J. M. Zavada , M. Buongiorno Nardelli , K. W. Kim

We present a study of transport in graphene devices on polar insulating substrates by solving the Bolzmann transport equation in the presence of graphene phonon, surface polar phonon, and Coulomb charged impurity scattering. The value of…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Vasili Perebeinos , Phaedon Avouris

We numerically study the disorder effect on the thermoelectric and thermal transport for bilayer graphene under a strong perpendicular magnetic field. In the unbiased case, we find that the thermoelectric transport has similar properties as…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 R. Ma , L. Zhu , L. Sheng , M. Liu , D. N Sheng

We study the interplay between long-range electron-phonon and electron-electron interactions in electrostatically doped two-dimensional semiconductors, including interlayer couplings in van der Waals heterostructures. We evaluate the…

Mesoscale and Nanoscale Physics · Physics 2026-04-03 Francesco Macheda , Thibault Sohier

We report on a theoretical investigation concerning the polaronic effect on the transport properties of a charge carrier in the one-dimensional molecular chain. Our technique is based on the Feynman's path integral approach. Analytical…

Mesoscale and Nanoscale Physics · Physics 2015-12-10 Sikarin Yoo-Kong , Watchara Liewrian

We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Yulei Han , Yafei Ren , Xinlong Dong , Junjie Zeng , Wei Ren , Zhenhua Qiao

We theoretically study the influence of impurity scattering on the electric and thermal transport of borophane layer, a two-dimensional anisotropic Dirac semi-metal with two tilted and anisotropic Dirac cones. In a systematic framework, we…

Mesoscale and Nanoscale Physics · Physics 2019-06-19 Moslem Zare

Bilayer silicene has richer physical properties than bilayer graphene due to its buckled structure together with its trigonal symmetric structure. The buckled structure arises from a large ionic radius of silicon, and the trigonal symmetry…

Mesoscale and Nanoscale Physics · Physics 2012-10-01 Motohiko Ezawa

A strong in-plane magnetic field drastically alters the low-energy spectrum of bilayer graphene by separating the parabolic energy dispersion into two linear Dirac cones. The effect of this dramatic change on the transport properties…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 M. Van der Donck , F. M. Peeters , B. Van Duppen

Inelastic phonon scattering in graphene field-effect transistors (FETs) is studied by numerically solving the Boltzmann transport equation in three dimensional real and phase spaces (x, kx, ky). A kink behavior due to ambipolar transport…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Jyotsna Chauhan , Jing Guo

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

We investigate the interband and intraband transition of the monolayer and AB-stacked bilayer silicene in low-energy tight-binding model under the electric field, where we focus on the dynamical polarization function, screening due to the…

Strongly Correlated Electrons · Physics 2018-12-05 Chen-Huan Wu

The structure optimization, phonon, and ab initio finite temperature molecular dynamics calculations have been performed to predict that bilayer silicene has stable structure with AB stacking geometry and is more favorable energetically to…

Mesoscale and Nanoscale Physics · Physics 2016-11-26 Wang Rui , Wang Shaofeng , Wu Xiaozhi