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We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jian-Sheng Wang , Jian Wang , Nan Zeng

Using the atomistic nonequilibrium Green's function, we find that thermal conductance of carbon nanotubes with presence of topological lattice imperfects is remarkably reduced, due to the strong Rayleigh scattering of high-frequency…

Mesoscale and Nanoscale Physics · Physics 2012-03-14 Jian Wang , Liang Li , Jian-Sheng Wang

We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behavior of the thermal conductivity as a function of the system length is investigated, using Green's function…

Materials Science · Physics 2008-11-03 Gabriel Stoltz , Michele Lazzeri , Francesco Mauri

Charge and thermal conductivities are the most important parameters of carbon nanomaterials as candidates for future electronics. In this paper we address the effects of Anderson type disorder in long semiconductor carbon nanotubes (CNTs)…

Mesoscale and Nanoscale Physics · Physics 2013-10-16 H. Sevincli , T. Lehmann , D. A. Ryndyk , G. Cuniberti

The phonon and electron transport in single-walled carbon nanotubes (SWCNT) are investigated using the nonequilibrium Green's function approach. In zigzag SWCNT ($n$, 0) with $mod(n,3)\not=0$, the thermal conductance is mainly attributed to…

Materials Science · Physics 2015-03-17 Jin-Wu Jiang , Jian-Sheng Wang , Baowen Li

Thermal engineering of quantum devices has attracted much attention since the discovery of quantized thermal conductance of phonons. Although easily submerged in numerous excitations in macro-systems, quantum behaviors of phonons manifest…

Materials Science · Physics 2020-10-02 Xiaobin Chen , Yizhou Liu , Wenhui Duan

Due to their aspect ratio and wide range of thermal conductivities, nanotubes hold significant promise as heat-management nanocomponents. Their practical use is, however, often limited by thermal resistance introduced by structural defects…

Materials Science · Physics 2025-10-20 Yu-Jie Cen , Sandro Wieser , Georg K. H. Madsen , Jesús Carrete

We present the detailed treatment of dissipative quantum transport in carbon nanotube field-effect transistors (CNTFETs) using the non-equilibrium Green's function formalism. The effect of phonon scattering on the device characteristics of…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Siyuranga O. Koswatta , Sayed Hasan , Mark S. Lundstrom , M. P. Anantram , Dmitri E. Nikonov

We find that introducing segmented isotopic disorder patterns may considerably reduce the thermal conductivity of pristine carbon nanotubes below the uncorrelated disorder value. This is a result of the interplay between different length…

Materials Science · Physics 2015-05-14 Gabriel Stoltz , Natalio Mingo , Francesco Mauri

As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene…

Mesoscale and Nanoscale Physics · Physics 2021-04-06 Xiao Wan , Dengke Ma , Dongkai Pan , Lina Yang , Nuo Yang

Phonon-phonon interaction is systematically studied by nonequilibrium Green's function (NEGF) formulism in momentum space at finite temperatures. Within the quasi-particle approximation, phonon frequency shift and lifetime are obtained from…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Yong Xu , Jian-Sheng Wang , Wenhui Duan , Bing-Lin Gu , Baowen Li

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 E. Ya. Glushko , V. N. Evteev , M. V. Moiseenko , N. A. Slusarenko , A. A. Zakhidov

With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in…

Mesoscale and Nanoscale Physics · Physics 2021-03-01 Zhizhou Yu , Guohuan Xiong , Lifa Zhang

We study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green's functions. This representation accounts for the atomic degrees of freedom making it particularly suited…

Mesoscale and Nanoscale Physics · Physics 2017-10-10 Marcone I. Sena-Junior , Leandro R. F. Lima , Caio H. Lewenkopf

This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…

Mesoscale and Nanoscale Physics · Physics 2013-05-28 Jian-Sheng Wang , Bijay Kumar Agarwalla , Huanan Li , Juzar Thingna

We report electrical transport experiments using the phenomenon of electrical breakdown to perform thermometry that probe the thermal properties of individual multi-walled nanotubes. Our results show that nanotubes can readily conduct heat…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 H. -Y. Chiu , V. V. Deshpande , H. W. Ch. Postma , C. N. Lau , C. Mikó , L. Forró , M. Bockrath

In this colloquia review we discuss methods for thermal transport calculations for nanojunctions connected to two semi-infinite leads served as heat-baths. Our emphases are on fundamental quantum theory and atomistic models. We begin with…

Mesoscale and Nanoscale Physics · Physics 2008-05-23 Jian-Sheng Wang , Jian Wang , J. T. Lu

An approach is presented for the atomistic study of phonon transport in real dielectric nanowires via Green functions. The formalism is applied to investigate the phonon flow through nanowires coated by an amorphous material. Examples for a…

Materials Science · Physics 2007-05-23 N. Mingo , Liu Yang

We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are…

Statistical Mechanics · Physics 2011-11-09 Jian-Sheng Wang , Nan Zeng , Jian Wang , Chee Kwan Gan

At low temperatures when the phonon modes are effectively frozen, photon transport is the dominating mechanism of thermal relaxation in metallic systems. Starting from a microscopic many-body Hamiltonian, we develop a nonequilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Teemu Ojanen , Tero T. Heikkila
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