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Two-dimensional (2D) materials like graphene and h-BN usually show high thermal conductivity, which enables rich applications in thermal dissipation and nanodevices. Disorder, on the other hand, is often present in 2D materials. Structural…

材料科学 · 物理学 2022-06-01 Yu-Tian Zhang , Yun-Peng Wang , Yu-Yang Zhang , Shixuan Du , Sokrates T. Pantelides

Amorphous thin film superconductors are promising alternatives for the development of superconducting radiation detectors, especially superconducting nanowire single photon detectors (SNSPDs) and superconducting microwire single photon…

超导电性 · 物理学 2025-10-08 Shekhar Chandra Pandey Shilpam Sharma , M. K. Chattopadhyay

New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics…

We report the transport properties of monolayer and bilayer graphene from first principles calculations and Boltzmann transport theory (BTE). Our resistivity studies on monolayer graphene show Bloch-Gr${\rm \ddot{u}}$neisen behavior in a…

材料科学 · 物理学 2017-03-02 Ransell D'Souza , Sugata Mukherjee

Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation…

介观与纳米尺度物理 · 物理学 2020-03-10 Giuseppe Romano

The thermoelectric properties of half-Heusler alloy TiNiSn have been studied for decade, however, theoretical report on its thermal conductivity is still little known, because it is difficult to estimate effectively the lattice thermal…

材料科学 · 物理学 2015-06-11 Guangqian Ding , G. Y. Gao , K. L. Yao

Thermal transport in the Si/SiO$_2$ multishell nanotubes is investigated theoretically. The phonon energy spectra are obtained using the atomistic Lattice Dynamics approach. Thermal conductivity is calculated using the Boltzmann transport…

材料科学 · 物理学 2021-04-30 C. Isacova , A. Cocemasov , D. L. Nika , V. M. Fomin

The electronic and vibrational properties of 2D materials are dramatically altered by the formation of a moir\'e superlattice. The lowest-energy phonon modes of the superlattice are two acoustic branches (called phasons) that describe the…

The cross-plane (across-layers) phonon thermal transport of five diverse, layered semiconductors is investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. For…

材料科学 · 物理学 2023-11-07 Amey G. Gokhale , Ankit Jain

Using nonequilibrium Monte Carlo simulations of the phonon Boltzmann transport equation, we study transient heat transfer in five indium-based two-dimensional monolayers: Janus monolayers In$_2$SeTe and In$_2$SSe, pristine InSe, and InSe…

应用物理 · 物理学 2025-06-11 Seyedeh Ameneh Bahadori , Zahra Shomali , Reza Asgari

Ever since the discovery of the record-high thermal conductivity of single layer graphene, thermal transport capability of monolayer 2D materials has been under constant spotlight. Since thermal conductivity is an intensive property for 3D…

材料科学 · 物理学 2017-02-01 Xufei Wu , Vikas Varshney , Jonghoon Lee , Yunsong Pang , Ajit K. Roy , Tengfei Luo

The recent synthesis of MoSi2N4 material, along with theoretical predictions encompassing the entire family of chemical analogs, has opened up a new array of low-dimensional materials for a diverse range of optoelectronics and photovoltaics…

材料科学 · 物理学 2023-09-21 Muhammad Sufyan Ramzan , Tomasz Woźniak , Agnieszka Kuc , Caterina Cocchi

Understanding lattice dynamics and thermal transport in crystalline compounds with intrinsically low lattice thermal conductivity ($\kappa_L$) is crucial in condensed matter physics. In this work, we investigate the lattice thermal…

材料科学 · 物理学 2025-02-26 Jincheng Yue , Yanhui Liu , Jiongzhi Zheng

First-principles density functional theory (DFT) is employed to evaluate the structural, electronic, optical, thermoelectric, and electrocatalytic properties of monolayer CrSi2N4. Its symmetric N-Si-N-Cr-N-Si-N septuple-layer structure…

材料科学 · 物理学 2026-05-15 Rao Uzair Ahmad , Fahd Sikandar Khan , Nasir Javed

Electrical and thermal properties of atomically thin two-dimensional (2D) materials are affected by their environment, e.g. through remote phonon scattering or dielectric screening. However, while it is known that mobility and thermal…

材料科学 · 物理学 2020-07-14 Alexander J. Gabourie , Saurabh V. Suryavanshi , Amir Barati Farimani , Eric Pop

Crystalline two-dimensional (2D) superconductors with low carrier density are an exciting new class of materials in which superconductivity coexists with strong interactions, the effects of complex topology are not obscured by disorder, and…

We systematically investigated the phonon and electron transport properties of monolayer InSe and its Janus derivatives including monolayer In2SSe and In2SeTe by first-principles calculations. The breaking of mirror symmetry produce a…

材料科学 · 物理学 2019-08-05 Wenhui Wan , Shan Zhao , Yanfeng Ge , Yong Liu

We report a technique for transferring large areas of the CVD-grown, few-layer MoS2 from the original substrate to another arbitrary substrate and onto holey substrates, in order to obtain free-standing structures. The method consists of a…

In the past decade, it has been demonstrated that monolayers of metal dichalcogenides are well-suited for thermoelectric applications. ZrX2N4 (X = Si, Ge) is a reasonable choice for thermoelectric applications when considering a favorable…

材料科学 · 物理学 2024-08-09 Chayan Das , Dibyajyoti Saikia , Satyajit Sahu

The predicted formation of moire superlattices leading to confined excitonic states in heterostructures formed by stacking two lattice mismatched transition metal dichalcogenide (TMD) monolayers was recently experimentally confirmed. Such…