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We present a machine-learning interatomic potential (MLIP) framework, which substantially accelerates the prediction of lattice thermal conductivity for both particle-like and wave-like thermal transport, including three-phonon and…

Materials Science · Physics 2024-11-19 Hao-Jen You , Yi-Ting Chiang , Arun Bansil , Hsin Lin

High thermoelectric energy conversion efficiency requires a large figure-of-merit, zT, over a broad temperature range. To achieve this, we optimize the carrier concentrations of n-type PbTe from room up to hot-end temperatures by co-doping…

We demonstrate the key role of phonon occupation in limiting the high-field ballistic transport in metallic carbon nanotubes. In particular, we provide a simple analytic formula for the electron transport scattering length, that we validate…

Materials Science · Physics 2007-05-23 M. Lazzeri , S. Piscanec , F. Mauri , A. C. Ferrari , J. Robertson

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

The emission properties of PbTe(111) single crystal have been extensively investigated to demonstrate that PbTe(111) is a promising low root mean square transverse momentum ({\Delta}p$_T$) and high brightness photocathode. The density…

Accelerator Physics · Physics 2017-04-04 Tuo Li , W. Andreas Schroeder

Peierls-Boltzmann transport equation, coupled with third-order anharmonic lattice dynamics calculations, has been widely used to model lattice thermal conductivity ($\kappa_{l}$) in bulk crystals. However, its application to materials with…

Materials Science · Physics 2018-11-08 Yi Xia , Maria K. Y. Chan

Lead chalcogenides are the promising thermoelectric (TE) materials having narrow band gap. The present work investigates the TE behaviour of PbSe in the temperature range 300-500 K. The transport properties of the sample have been studied…

We investigate the harmonic and anharmonic contributions to the phonon spectrum of lead telluride, and perform a complete characterization of how the anharmonic effects dominate the phonons in PbTe as temperature increases. This effect is…

Materials Science · Physics 2015-08-10 A. H. Romero , E. K. U. Gross , M. J. Verstraete , Olle Hellman

At the 2D limit, hexagonal systems such as monolayer transition metal dichalcogenides (TMDs) and graphene exhibit unique coupled spin and momentum-valley physics (valley pseudospin) owing to broken spatial inversion symmetry and strong…

Materials Science · Physics 2023-06-21 Tristan L Britt , Bradley J. Siwick

We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…

Materials Science · Physics 2015-05-11 K. Kutorasinski , B. Wiendlocha , S. Kaprzyk , J. Tobola

The energy relaxation channels of hot electrons far from thermal equilibrium in a degenerate two-dimensional electron system are investigated in transport experiments in a mesoscopic three-terminal device. We observe a transition from two…

Mesoscale and Nanoscale Physics · Physics 2011-08-05 D. Taubert , C. Tomaras , G. J. Schinner , H. P. Tranitz , W. Wegscheider , S. Kehrein , S. Ludwig

The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary…

We calculate the lattice thermal conductivities of the pyrite-type ZnSe2 at pressures of 0 and 10 GPa using the linearized phonon Boltzmann transport equation. We obtain a very low value [0.69 W/(mK) at room temperature at 0 GPa],…

Materials Science · Physics 2020-10-07 Tiantian Jia , Jesus Carrete , Zhenzhen Feng , Shuping Guo , Yongsheng Zhang , Georg K. H. Madsen

Diffusion currents are theoretically examined in two-dimensional Dirac materials, such as those of the transition metal dichalcogenides (TMD) family. The transversal effects are analogues of the valley Hall (VHE) and photogalvanic (PGE)…

Mesoscale and Nanoscale Physics · Physics 2023-03-01 A. V. Snegirev , V. M. Kovalev , M. V. Entin

Ta-doped SnO$_2$ films with high conductivity and high optical transparency have been successfully fabricated using rf-sputtering method and their electrical transport properties have been investigated. All films reveal degenerate…

Disordered Systems and Neural Networks · Physics 2022-02-17 Zong-Hui Gao , Zi-Xiao Wang , Dong-Yu Hou , Xin-Dian Liu , Zhi-Qing Li

We study the charge and spin transport under high electric field (up to several kV/cm) on the surface of topological insulator Bi$_2$Se$_3$, where the electron-surface optical phonon scattering dominates except at very low temperature. Due…

Mesoscale and Nanoscale Physics · Physics 2013-02-28 P. Zhang , M. W. Wu

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

We have measured the heat conduction between 0.05 K and 1.0 K of high purity silicon wafers carrying on their polished faces a variety of thin dielectric films and polycrystalline thin metallic films. Using a Monte Carlo simulation to…

Materials Science · Physics 2009-10-31 P. D. Vu , Xiao Liu , R. O. Pohl

We study hot-electron cooling by acoustic and optical phonons in monolayer MoS$_2$. The cooling power $P$ ($P_e = P/n$) is investigated as a function of electron temperature $T_e$ (0-500 $\mathrm{K}$) and carrier density $n$…

Mesoscale and Nanoscale Physics · Physics 2014-11-04 Kristen Kaasbjerg , K. S. Bhargavi , S. S. Kubakaddi

We present a study of electrical and thermal transport in Weyl semimetal WTe$_2$ down to 0.3 K. The Wiedemann-Franz law holds below 2 K and a downward deviation starts above. The deviation is more pronounced in cleaner samples, as expected…

Mesoscale and Nanoscale Physics · Physics 2024-08-26 Wei Xie , Feng Yang , Liangcai Xu , Xiaokang Li , Zengwei Zhu , Kamran Behnia