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We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study…

Materials Science · Physics 2014-06-24 Lorenzo Paulatto , Francesco Mauri , Michele Lazzeri

Graphene is a promising candidate for building fast and ultra-sensitive bolometric detectors due to its weak electron-phonon coupling and low heat capacity. In order to realize a practical graphene-based bolometer, several important issues,…

Mesoscale and Nanoscale Physics · Physics 2014-02-25 Heli Vora , Bent Nielsen , Xu Du

Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its allotropes, are still not well-understood. In this work, we…

Mesoscale and Nanoscale Physics · Physics 2016-04-08 J. Zhang , H. J. Liu , L. Cheng , J. Wei , J. H. Liang , D. D. Fan , P. H. Jiang , J. Shi

We study transport properties of clean suspended graphene at the Dirac point. In the absence of the electron-electron interaction, the main contribution to resistivity comes from interaction with flexural (out-of-plane deformation) phonons.…

Mesoscale and Nanoscale Physics · Physics 2015-03-20 I. V. Gornyi , V. Yu. Kachorovskii , A. D. Mirlin

The thermal conductivity of nanostructures needs to be as small as possible so that it will have a greater efficiency for solid-state electricity generation/refrigeration by thermoelectrics. We studied how the period length and the mass…

Mesoscale and Nanoscale Physics · Physics 2013-01-14 Lina Yang , Nuo Yang , Baowen Li

The design of graphene-based composite with high thermal conductivity requires a comprehensive understanding of phonon coupling in graphene. We extended the two-temperature model to coupled groups of phonon. The study give new physical…

Mesoscale and Nanoscale Physics · Physics 2017-10-11 Meng An , Qichen Song , Xiaoxiang Yu , Han Meng , Dengke Ma , Ruiyang Li , Zelin Jin , Baoling Huang , Nuo Yang

The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Van-Truong Tran , Jérôme Saint Martin , Philippe Dollfus

Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

Materials Science · Physics 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

We have investigated the lattice thermal transport across the asymmetric tilt grain boundary between armchair and zigzag graphene by nonequilibrium molecular dynamics (NEMD). We have observed significant temperature drop and ultra-low…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Hai-Yuan Cao , Hongjun Xiang , Xin-Gao Gong

To achieve high thermal conductivity (k) of polymer graphene nanocomposites, it is critically important to achieve efficient thermal coupling between graphene and its surrounding polymers through effective functionalization schemes. In this…

Graphene grain boundaries are known to affect phonon transport and thermal conductivity, suggesting that they may be used to engineer the phononic properties of graphene. Here, the effect of two buckled grain boundaries on long-wavelength…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Edit E. Helgee , Andreas Isacsson

We calculate the theoretical contribution to the doping and temperature ($T$) dependence of electrical resistivity due to scattering by acoustic phonons in Bernal bilayer graphene (BBG) and rhombohedral trilayer graphene (RTG). We focus on…

Mesoscale and Nanoscale Physics · Physics 2023-01-31 Seth M. Davis , Yang-Zhi Chou , Fengcheng Wu , Sankar Das Sarma

Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found metallic TiN and HfN hold anomalous thermal transport behaviors…

Materials Science · Physics 2020-06-30 Shouhang Li , Ao Wang , Yue Hu , Xiaokun Gu , Zhen Tong , Hua Bao

We study conductance across a twisted bilayer graphene coupled to single-layer graphene leads in two setups: a flake of graphene on top of an infinite graphene ribbon and two overlapping semi-infinite graphene ribbons. We find conductance…

Mesoscale and Nanoscale Physics · Physics 2020-07-30 Hadi Z. Olyaei , Bruno Amorim , Pedro Ribeiro , Eduardo V. Castro

Phonon modes and their dispersion relations in ultrathin homogenous dielectric membranes are calculated using elasticity theory. The approach differs from the previous ones by a rigorous account of the effect of the film surfaces on the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 T. Kühn , D. V. Anghel , J. P. Pekola , M. Manninen , Y. M Galperin

Graphene is a 2-dimensional material with high carrier mobility and thermal conductivity, suitable for high-speed electronics. Conduction and valence bands touch at the Dirac point. The absorptivity of single-layer graphene is 2.3%, nearly…

Mesoscale and Nanoscale Physics · Physics 2010-10-11 Marcus Freitag , Hsin-Ying Chiu , Mathias Steiner , Vasili Perebeinos , Phaedon Avouris

We investigate the photoconductivity of graphene within the relaxation time approximation. In presence of the inter-band transitions induced by the linearly polarized light the photoconductivity turns out to be highly anisotropic due to the…

Materials Science · Physics 2011-10-18 Maxim Trushin , John Schliemann

Properties of phonons - quanta of the crystal lattice vibrations - in graphene have attracted strong attention of the physics and engineering communities. Acoustic phonons are the main heat carriers in graphene near room temperature while…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Denis L. Nika , Alexander A. Balandin

By means of an envelope function analysis, we perform a numerical investigation of the conductance behavior of a graphene structure consisting of two regions (dots) connected to the entrance and exit leads through constrictions and…

Mesoscale and Nanoscale Physics · Physics 2013-12-24 Paolo Marconcini , Massimo Macucci

The textbook thermophoretic force which acts on a body in a fluid is proportional to the local temperature gradient. The same is expected to hold for the macroscopic drift behavior of a diffusive cluster or molecule physisorbed on a solid…

Mesoscale and Nanoscale Physics · Physics 2017-08-22 Emanuele Panizon , Roberto Guerra , Erio Tosatti