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The measured magnetization dynamics of ferromagnetic iron--cobalt Fe$_{1-x}$Co$_x$ alloys show a strong dependence on the alloy composition, especially near $x=0.25$. Here, we calculate from first principles the electron-phonon coupling…

Materials Science · Physics 2024-10-21 Kevin Moseni , Richard B Wilson , Sinisa Coh

Electronic and thermal transport properties in two-dimensional (2D) semiconductors have been extensively investigated due to their potential to miniaturize transistors. Microscopically, electron-phonon interactions are considered the…

Mesoscale and Nanoscale Physics · Physics 2024-11-25 Yujie Quan , Bolin Liao

Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome…

We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…

Materials Science · Physics 2025-07-08 Luca Gnoli , Elisabetta Venuti , Matteo Masino , Patrizio Graziosi

The bulk tin selenide (SnSe) is the best thermoelectric material currently with the highest figure-of-merit due to the strong phonon-phonon interactions. We investigate the effect of electron-phonon coupling (EPC) on the transport…

Mesoscale and Nanoscale Physics · Physics 2018-02-14 Kaike Yang , Ji-Chang Ren , Hongfei Qiu , Jian-Sheng Wang

We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…

Superconductivity · Physics 2023-10-31 Marco-Antonio Carmona-Galván , Rolf Heid , Omar De la Peña-Seaman

Electron-phonon(e-ph) interaction in Ca2N monolayer, the first electrene material with two-dimensional(2D) electron gas floating in free space, is expected to be very weak and such a character can be used to design weak-scattering transport…

Computational Physics · Physics 2018-12-05 Xiongzhi Zeng , Songtao Zhao , Zhenyu Li , Jinlong Yang

The electronic and magneto transport properties of reduced anatase TiO2 epitaxial thin films are analyzed considering various polaronic effects. Unexpectedly, with increasing carrier concentration, the mobility increases, which rarely…

Mesoscale and Nanoscale Physics · Physics 2023-03-07 B. X. Yan , D. Y. Wan , X. Chi , C. J. Li , M. R. Motapothula , S. Hooda , P. Yang , Z. Huang , S. W. Zeng , A. Gadekar , S. J. Pennycook , A. Rusydi , Ariando , J. Martin , T. Venkatesan

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

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

Understanding the physics of strongly correlated electronic systems has been a central issue in condensed matter physics for decades. In transition metal oxides, strong correlations characteristic of narrow $d$ bands is at the origin of…

Strongly Correlated Electrons · Physics 2021-05-05 Mathieu Mirjolet , Francisco Rivadulla , Premysl Marsik , Vladislav Borisov , Roser Valenti , Josep Fontcuberta

One of the salient features of graphene is the very high carrier mobility that implies tremendous potential for use in electronic devices. Unfortunately, transport measurements find the expected high mobility only in freely suspended…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Søren Ulstrup , Marco Bianchi , Richard Hatch , Dandan Guan , Alessandro Baraldi , Dario Alfè , Liv Hornekær , Philip Hofmann

We report tunneling measurements of the electron-phonon (e-ph) interaction in superconducting MgB$_2$ using the MgB$_2$-I-Nb junctions, where I stands for insulator. The phonon structure in tunneling density of states in MgB$_2$ clearly…

Superconductivity · Physics 2007-05-23 A. I. D'yachenko , V. Yu. Tarenkov , A. V. Abal'oshev , S. J. Lewandowski

We present a combined treatment of the non-equilibrium dynamics and transport of electrons and phonons by carrying out \textit{ab initio} calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the…

Materials Science · Physics 2020-12-30 Nakib H. Protik , Boris Kozinsky

Recently, it has been found that crystalline tin selenide (SnSe) holds great potential as a thermoelectric material due to its ultralow thermal conductivity and moderate electronic transport performance. As thermoelectric application…

Applied Physics · Physics 2019-02-04 Shouhang Li , Zhen Tong , Hua Bao

Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition metal dichalcogenides MX$_2$ (M=Mo,W; X=S,Se) based on a density functional theory formalism. Due to their structural similarities, all four materials…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Zhenghe Jin , Xiaodong Li , Jeffrey Thomas Mullen , Ki Wook Kim

The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical quantities related to phonons in semiconductors. However, for…

The equilibration of electronic carriers in metals after excitation by an ultra-short laser pulse provides an important class of non-equilibrium phenomena in metals and allows measuring the effective electron-phonon coupling parameter.…

Materials Science · Physics 2022-10-06 Peter Kratzer , Laurenz Rettig , Irina Yu. Sklyadneva , Evgueni V. Chulkov , Uwe Bovensiepen

Nonequilibrium multi-carrier thermal transport is essential for both scientific research and technological applications in electronic, spintronic, and energy conversion devices. This article reviews the fundamentals of phonon, electron,…

Materials Science · Physics 2025-02-18 Te-Huan Liu , Tianyu Wang , Jun Zhou , Xin Qian , Ronggui Yang

Recent studies demonstrate that novel 2D triphosphides semiconductors possess high carrier mobility and promising thermoelectric performance, while the carrier transport behaviors in 2D semimetal triphosphides have never been elucidated…

Materials Science · Physics 2023-08-09 Yongchao Rao , C. Y. Zhao , Lei Shen , Shenghong Ju