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In the present work we calculate the phonon-limited mobility in intrinsic n-type single-layer MoS2 as a function of carrier density and temperature for T > 100 K. Using a first-principles approach for the calculation of the electron-phonon…

Materials Science · Physics 2013-11-22 Kristen Kaasbjerg , Kristian S. Thygesen , Karsten W. Jacobsen

We propose a theory of low temperature thermal transport in nano-wires in the regime where a competition between phonon and flexural modes governs the relaxation processes. Starting with the standard kinetic equations for two different…

Statistical Mechanics · Physics 2009-11-10 Alexander V. Zhukov , Shilong Yang , Jianshu Cao

Dimensional dependence of thermal conductance at low temperatures in nanowires is studied using the nonequilibrium Green's function (NEGF) method. Our calculation shows a smooth dimensional crossover of thermal conductance in nanowire from…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Jian Wang , Jian-Sheng Wang

In this work we present a study on the negative differential resistance behavior and the impact of various deformations {like ripples, twist, wrap} and defects like vacancies and edge roughness on the electronic properties of short-channel…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Amretashis Sengupta , Santanu Mahapatra

The phonon thermal transport properties of twisted bi-layer graphene are investigated using lattice dynamics and the Boltzmann transport equation. The thermal conductivities of 13.2 and 21.8 twisted configurations are 56% and 36% lower than…

Mesoscale and Nanoscale Physics · Physics 2023-11-07 Shahid Ahmed , Shadab Alam , Ankit Jain

First principles density functional theory based calculations have been performed to investigate the strain and temperature induced tunability of the thermoelectric properties of monolayer (ML) MoS$_2$. Modifications in the electronic and…

Materials Science · Physics 2023-08-02 Saumen Chaudhuri , Amrita Bhattacharya , A. K. Das , G. P. Das , B. N. Dev

The thermal conductivity of a freestanding single-crystal silicon membrane may be reduced significantly by attaching nanoscale pillars on one or both surfaces. Atomic resonances of the nanopillars locally and intrinsically couple with the…

Mesoscale and Nanoscale Physics · Physics 2021-09-01 Hossein Honarvar , Mahmoud I. Hussein

This study delves into the thermoelectric properties of armchair black phosphorene nanoribbons while considering the presence of line edge roughness. Employing the tight-binding method in conjunction with non-equilibrium Green's function…

Mesoscale and Nanoscale Physics · Physics 2025-01-27 Ebrahim Pishevar , Hossein Karamitaheri

Thermoelectric materials enables the harvest of waste heat and directly conversion into electricity. In search of high efficient thermoelectric materials, low thermal conductivity of a material is essential and critical. Here, we have…

Materials Science · Physics 2019-01-30 Cong Wang , Y. B. Chen , Shu-Hua Yao , Jian Zhou

We review experimental and theoretical results on thermal transport in semiconductor nanostructures (multilayer thin films, core/shell and segmented nanowires), single- and few-layer graphene, hexagonal boron nitride, molybdenum disulfide…

Mesoscale and Nanoscale Physics · Physics 2018-06-13 Alexandr I. Cocemasov , Calina I. Isacova , Denis L. Nika

Thermoelectric technology is an alternate way to efficiently utilize the energy by converting waste heat into electricity. Thermoelectric requires material with low thermal conductivity to improves its thermoelectric performance. In this…

Materials Science · Physics 2021-01-22 Rajmohan Muthaiah , Jivtesh Garg

Two-dimensional (2D) metal-diboride ZrB2 monolayers was predicted theoretically as a stable new electronic material [A. Lopez-Bezanilla, Phys. Rev. Mater., 2018, 2, 011002 (R)]. Here, we investigate its electronic transport properties along…

Mesoscale and Nanoscale Physics · Physics 2018-12-27 Yipeng An , Jutao Jiao , Yusheng Hou , Hui Wang , Ruqian Wu , Chengyan Liu , Xuenian Chen , Tianxing Wang , Kun Wang

Anomalous heat transport in one-dimensional nanostructures, such as nanotubes and nanowires, is a widely debated problem in condensed matter and statistical physics, with contradicting pieces of evidence from experiments and simulations.…

Mesoscale and Nanoscale Physics · Physics 2021-07-14 Giuseppe Barbalinardo , Zekun Chen , Haikuan Dong , Zheyong Fan , Davide Donadio

We study the thermal transport of a spin-1/2 two leg antiferromagnetic ladder in the direction of legs. The possible effect of spin-orbit coupling and crystalline electric field are investigated in terms of anisotropies in the Heisenberg…

Strongly Correlated Electrons · Physics 2015-06-17 Hamed Rezania , Abdollah Langari , Paul H. M. van Loosdrecht , Xenophon Zotos

Individual carbon nanotubes (CNTs) possess extremely high thermal conductivities. However, the thermal conductivities and their anisotropy of macroscopic assemblies of CNTs have so far remained small. Here, we report results of directional…

This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the \emph{ab initio} band structure. The transport properties of…

Mesoscale and Nanoscale Physics · Physics 2025-02-18 C. J. Páez-González , C. E. Ardila-Gutiérrez , D. A. Bahamon

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…

Materials Science · Physics 2021-04-30 C. Isacova , A. Cocemasov , D. L. Nika , V. M. Fomin

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…

Materials Science · Physics 2022-06-01 Yu-Tian Zhang , Yun-Peng Wang , Yu-Yang Zhang , Shixuan Du , Sokrates T. Pantelides

The spin-dependent thermoelectric properties of silicene nanoribbon heterostructures are investigated, in which the central conductor contains a random distribution of vacancies and is connected to two pristine leads of the same material,…

Mesoscale and Nanoscale Physics · Physics 2026-01-13 D. Zambrano , C. D. Núñez , P. A. Orellana , J. P. Ramos-Andrade , L. Rosales

The complex electric modulus and the ac conductivity of carbon nanoonion/polyaniline composites were studied from 1 mHz to 1 MHz at isothermal conditions ranging from 15 K to room temperature. The temperature dependence of the electric…