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The charge-carrier transport properties of ultrathin metallic films are analysed with ab-initio methods using the density functional theory (DFT) on free-standing single crystalline slabs in the thickness range between 1 and 8 monolayers…

Materials Science · Physics 2007-05-23 I. Vilfan , H. Pfnuer

The effects of surface polar phonons on electronic transport properties of monolayer graphene are studied by using a Monte Carlo simulation. Specifically, the low-field electron mobility and saturation velocity are examined for different…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 X. Li , E. A. Barry , J. M. Zavada , M. Buongiorno Nardelli , K. W. Kim

In this paper we present theoretical analysis of the electron transport in conducting polymers. We concentrate on the study of the effects of temperature on characteristics of the transport. We treat a conducting polymers in a metal state…

Materials Science · Physics 2008-10-23 Natalya A. Zimbovskaya

We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…

Mesoscale and Nanoscale Physics · Physics 2018-11-14 Jiang Cao , Jose D. Querales-Flores , Aoife R. Murphy , Stephen Fahy , Ivana Savić

We extensively investigate the electronic and transport properties of a twisted bilayer graphene when subjected to both an external perpendicular electric field and a magnetic field. Using a basic tight-binding model, we show the flat…

Mesoscale and Nanoscale Physics · Physics 2023-11-13 Priyanka Sinha , Ayan Mondal , Simão Meneses João , Bheema Lingam Chittari

We present a detailed ab-initio study of semi-classical transport in n-ZnSe using Rode's iterative method. Inclusion of ionized impurity, piezoelectric, acoustic deformation and polar optical phonon scattering and their relative importance…

The transport properties of a bilayer graphene are studied theoretically within a self-consistent Born approximation. The electronic spectrum is composed of $k$-linear dispersion in the low-energy region and $k$-square dispersion as in an…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Mikito Koshino , Tsuneya Ando

The intrinsic charge transport of stanene is investigated by using density function theory and density function perturbation theory coupled with Boltzmann transport equations from first principles. The accurate Wannier interpolations are…

Chemical Physics · Physics 2018-01-11 Yuma Nakamura , Tianqi Zhao , Jinyang Xi , Wen Shi , Dong Wang , Zhigang Shuai

Exciton transport in 2D semiconductors holds promise for room-temperature, ultra-compact optoelectronic devices, but it is limited by short propagation distances. Hybridization of excitons with cavity photons to form exciton-polaritons can…

Mesoscale and Nanoscale Physics · Physics 2025-07-08 Jamie M. Fitzgerald , Roberto Rosati , Ermin Malic

We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles.…

Mesoscale and Nanoscale Physics · Physics 2016-01-13 Tue Gunst , Troels Markussen , Kurt Stokbro , Mads Brandbyge

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

Transition metal dichalcogenides have recently emerged as promising two-dimensional materials with intriguing electronic properties. Existing calculations of intrinsic phonon-limited electronic transport so far have concentrated on the…

Materials Science · Physics 2017-10-05 Nicki Frank Hinsche , Kristian Sommer Thygesen

We theoretically study the effects of strong magnetoelastic coupling on the transport properties of magnetic insulators. We develop a Boltzmann transport theory for the mixed magnon-phonon modes (magnon polarons) and determine transport…

Mesoscale and Nanoscale Physics · Physics 2017-04-19 Benedetta Flebus , Ka Shen , Takashi Kikkawa , Ken-ichi Uchida , Zhiyong Qiu , Eiji Saitoh , Rembert A. Duine , Gerrit E. W. Bauer

The coupling of charge carrier motion and pseudospin via chirality for massless Dirac fermions in monolayer graphene has generated dramatic consequences, such as the unusual quantum Hall effect and Klein tunneling. In bilayer graphene,…

Mesoscale and Nanoscale Physics · Physics 2016-11-17 Kyunghoon Lee , Seunghyun Lee , Yun Suk Eo , Cagliyan Kurdak , Zhaohui Zhong

Ballistic transport occurs whenever electrons propagate without collisions deflecting their trajectory. It is normally observed in conductors with a negligible concentration of impurities, at low temperature, to avoid electron-phonon…

Mesoscale and Nanoscale Physics · Physics 2018-04-25 Youngwoo Nam , Dong-Keun Ki , David Soler-Delgado , Alberto F. Morpurgo

We present a technique to calculate the transport properties through one-dimensional models of molecular wires. The calculations include inelastic electron scattering due to electron-lattice interaction. The coupling between the electron…

Condensed Matter · Physics 2009-10-31 H. Ness , S. A. Shevlin , A. J. Fisher

Charge transport plays a crucial role in manifold potential applications of two-dimensional materials, including field effect transistors, solar cells, and transparent conductors. At most operating temperatures, charge transport is hindered…

Materials Science · Physics 2023-05-03 Samuel Poncé , Miquel Royo , Massimiliano Stengel , Nicola Marzari , Marco Gibertini

The combined effect of bulk and interface electron-phonon couplings on the transport properties is investigated in a model for organic semiconductors gated with polarizable dielectrics. While the bulk electron-phonon interaction affects the…

Strongly Correlated Electrons · Physics 2015-05-30 C. A. Perroni , V. Cataudella

Due to its incommensurate nature, moir\'e superlattices host not only acoustic phonons but also another type of soft collective modes called phasons. Here, we investigate the impact of electron-phason scattering on the transport properties…

Mesoscale and Nanoscale Physics · Physics 2023-09-06 Héctor Ochoa , Rafael M. Fernandes

Chemical reactions and energy transport phenomena have been experimentally reported to be significantly affected by strong light-matter interactions and vibrational polariton formation. These quasiparticles exhibit nontrivial transport…

Chemical Physics · Physics 2023-07-21 Enes Suyabatmaz , Raphael F. Ribeiro