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Through advanced quantum mechanical simulations combining electron and phonon transport from first-principles self-heating effects are investigated in n-type transistors with a single-layer MoS2, WS2, and black phosphorus as channel…

Mesoscale and Nanoscale Physics · Physics 2018-12-06 Christian Stieger , Aron Szabo , Teute Bunjaku , Mathieu Luisier

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

GeTe is a well-known ferroelectric and thermoelectric material that undergoes a structural phase transition from a rhombohedral to the rocksalt structure at $\sim 600-700$ K. We present a first principles approach to calculate the thermal…

Materials Science · Physics 2018-07-10 Đorđe Dangić , Aoife R. Murphy , Éamonn D. Murray , Stephen Fahy , Ivana Savić

While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

Materials Science · Physics 2015-10-20 Tian Lan

While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport within a single framework remains a formidable challenge.…

Soft Condensed Matter · Physics 2026-04-07 Penghua Ying , Ting Liang , Yun Chen , Yan Chen , Shiyun Xiong , Zheyong Fan , Jianbin Xu , Yilun Liu

We study thermal transport in a chain of coupled atoms, which can vibrate in longitudinal as well as transverse directions. The particles interact through anharmonic potentials upto cubic order. The problem is treated quantum mechanically.…

Statistical Mechanics · Physics 2010-04-19 Santhosh G , Deepak Kumar

In solids, quanta of atomic vibrations are identified in reciprocal space by their frequency and wavevector as phonons. At the opposite end of the matter spectrum, dynamics of dilute gases is conventionally described in terms of atomic or…

Chemical Physics · Physics 2026-03-16 Jaeyun Moon

The authors describe how acoustic phonons can directly tunnel through vacuum and, therefore, transmit energy and conduct heat between bodies that are separated by a vacuum gap. This effect is enabled by introducing a coupling mechanism,…

Mesoscale and Nanoscale Physics · Physics 2010-10-11 Mika Prunnila , Johanna Meltaus

Bulk AlN possesses high thermal conductivity due to long phonon mean-free-paths, high group velocity, and long lifetimes. However, the thermal transport scenario becomes very different in a thin AlN film due to phonon-defect and…

We study thermal conductivity for one-dimensional electronic fluid. The many-body Hilbert space is partitioned into bosonic and fermionic sectors that carry the thermal current in parallel. For times shorter than bosonic Umklapp time, the…

Strongly Correlated Electrons · Physics 2019-05-23 R. Samanta , I. V. Protopopov , A. D. Mirlin , D. B. Gutman

Thermoelectric materials convert heat into electricity through thermally driven charge transport in solids, or vice versa for cooling. To be competitive with conventional energy-generation technologies, a thermoelectric material must…

Thermoelectric materials convert a temperature gradient into a voltage. This phenomenon is relatively well understood for inorganic materials, but much less so for organic semiconductors (OSs). These materials present a challenge because…

The low-temperature thermal conductivity in polycrystalline graphene is theoretically studied. The contributions from three branches of acoustic phonons are calculated by taking into account scattering on sample borders, point defects and…

Materials Science · Physics 2015-06-05 D. V. Kolesnikov , V. A. Osipov

The thermal properties of amorphous materials have attracted significant attention due to their technological importance in electronic devices. Additionally, the disorder-induced breakdown of the phonon gas model makes vibrational transport…

Applied Physics · Physics 2024-06-12 Wanyue Peng , Richard Wilson

We calculate the heat transfer between electrons to acoustic and optical phonons in monolayer and bilayer graphene (MLG and BLG) within the quasiequilibrium approximation. For acoustic phonons, we show how the temperature-power laws of the…

Mesoscale and Nanoscale Physics · Physics 2010-06-04 J. K. Viljas , T. T. Heikkilä

We report the first temperature dependent phonon transport measurements in suspended Cu-CVD single layer graphene (SLG) from 15K to 380K using microfabricated suspended devices. The thermal conductance per unit cross section $\sigma$/A…

In this paper, thermal conductivity of crystalline GaAs is calculated using first-principles lattice dynamics. The harmonic and cubic force constants are obtained by fitting them to the force-displacement data from density functional theory…

Materials Science · Physics 2013-01-11 Tengfei Luo , Jivtesh Garg , Junichiro Shiomi , Keivan Esfarjani , Gang Chen

We study the quantum thermal transport of elastic excitations through a two-dimensional elastic waveguide between two thermal reservoirs. We solve the classical Kirchhoff-Love equation for rectangular wires and explore the dispersion…

Nonreciprocal transport phenomena indicate that the forward and backward flows differ, and are attributed to broken inversion symmetry. In this paper, we study the nonreciprocity of a thermal and thermoelectric transport of electronic…

Mesoscale and Nanoscale Physics · Physics 2019-03-13 Ryota Nakai , Naoto Nagaosa

BaNi$_2$As$_2$ is a nonmagnetic analogue of the iron pnictide superconductors, and in its tetragonal state exhibits an incommensurate charge-density-wave (IC-CDW) and a sizable elastoresistance. In this work, phonons in BaNi$_2$As$_2$…