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While phonon topology in crystalline solids has been extensively studied, its influence on thermal transport-especially in nanostructures-remains elusive. Here, by combining first-principles-based machine learning potentials with the phonon…

材料科学 · 物理学 2025-12-23 Zhe Su , Shuoran Song , Qi Wang , Jian-Hua Jiang

Remote phonons from dielectrics are typically believed to degrade carrier mobility in adjacent semiconductors through Fr\"ohlich scattering of polar-optical phonons (POPs). Here, we challenge this conventional view by demonstrating that in…

材料科学 · 物理学 2025-07-01 Chenmu Zhang , Yuanyue Liu

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…

材料科学 · 物理学 2025-10-28 Bhawna Sahni , Yao Zhao , Zhen Li , Rajeev Dutt , Patrizio Graziosi , Neophytos Neophytou

Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics, and practical performance are of considerable…

材料科学 · 物理学 2022-08-04 Andrey D. Poletayev , James A. Dawson , M. Saiful Islam , Aaron M. Lindenberg

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…

Thermal conductivity, a fundamental parameter characterizing thermal transport in solids, is typically determined by electron and phonon transport. Although other transport properties including electrical conductivity and thermoelectric…

The ab-initio theory of charge transport in semiconductors typically employs the lowest-order perturbation theory in which electrons interact with one phonon (1ph). This theory is accepted to be adequate to explain the low-field mobility of…

材料科学 · 物理学 2023-02-08 Benjamin Hatanpää , Alexander Y. Choi , Peishi S. Cheng , Austin J. Minnich

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…

凝聚态物理 · 物理学 2009-10-31 H. Ness , S. A. Shevlin , A. J. Fisher

In polar semiconductors and oxides, the long-range nature of the electron-phonon (\textit{e}-ph) interaction is a bottleneck to compute charge transport from first principles. Here, we develop an efficient ab initio scheme to compute and…

材料科学 · 物理学 2016-12-07 Jin-Jian Zhou , Marco Bernardi

By means of high-pressure resistivity measurements on single crystals, we investigate the charge transport properties of Cu$_x$PdTe$_2$, notable for the combination of topological type-II Dirac semimetallic properties with superconductivity…

超导电性 · 物理学 2021-06-11 H. Yang , M. K. Hooda , C. S. Yadav , D. Hrabovsky , A. Gauzzi , Y. Klein

The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…

介观与纳米尺度物理 · 物理学 2015-06-12 Xiaodong Li , Jeffrey T. Mullen , Zhenghe Jin , Kostyantyn M. Borysenko , M. Buongiorno Nardelli , Ki Wook Kim

Anomalous transport processes in which the variance of the distance travelled does not necessarily increase linearly with time are modelled using the formalism of continuous time random walks. We compute particle propagators which have the…

天体物理学 · 物理学 2011-05-23 B. R. Ragot , J. G. Kirk

The emergence of twistronics provides an unprecedented platform to modulate the band structure, resulting in exotic electronic phenomena ranging from ferromagnetism to superconductivity. However, such concept on phonon engineering is still…

介观与纳米尺度物理 · 物理学 2020-08-25 Yufeng Zhang , Meng An , Dongxing Song , Haidong Wang , Weigang Ma , Xing Zhang

Engineering phonon transport in physical systems is a subject of interest in the study of materials and plays a crucial role in controlling energy and heat transfer. Of particular interest are non-reciprocal phononic systems, which in…

介观与纳米尺度物理 · 物理学 2018-03-28 Alireza Seif , Wade DeGottardi , Keivan Esfarjani , Mohammad Hafezi

Carrier mobility is a crucial character for electronic devices since it domains power dissipation and switching speed. Materials with certain high carrier mobility, equally, unveil rich unusual physical phenomena elusive in their…

材料科学 · 物理学 2017-04-10 Jiafeng Xie , Z. Y. Zhang , D. Z. Yang , M. S. Si , D. S. Xue , Xiaohui Deng

Weyl fermions are powerful yet simple entities that connect geometry, topology, and physics. While their existence as fundamental particles is still uncertain, growing evidence shows they emerge as quasiparticles in special materials called…

介观与纳米尺度物理 · 物理学 2025-06-17 Azaz Ahmad

Recent experiments have reported nonlinear signals in topological materials up to room temperature. Here we show that this response stems from extrinsic spin-orbit contributions to \textit{both} impurity and phonon scattering. While skew…

介观与纳米尺度物理 · 物理学 2025-06-18 Rhonald Burgos Atencia , Shanshan Liu , Kian Ping Loh , Dimitrie Culcer

The electron transport properties of atomically thin semiconductors such as MoS2 have attracted significant recent scrutiny and controversy. In this work, the scattering mechanisms responsible for limiting the mobility of single layer…

介观与纳米尺度物理 · 物理学 2014-03-25 Nan Ma , Debdeep Jena

A topological superconductor features at its boundaries and vortices Majorana fermions, which are potentially applicable for topological quantum computations. The scarcity of the known experimentally verified physical systems with…

超导电性 · 物理学 2020-03-18 Minseong Lee , Hyun-Jae Lee , Jun Hee Lee , Suk Bum Chung

Topological semimetals are renowned for exhibiting large, unsaturated magnetoresistance arising from ultrahigh carrier mobility and electron-hole compensation. However, such behaviors remain poorly understood in iron-based superconductors…