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The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…

Materials Science · Physics 2009-11-10 Nicolas Mounet , Nicola Marzari

A Stillinger-Weber interatomic potential is parameterized for phosphorene. It well reproduces the crystal structure, cohesive energy and phonon dispersion predicted by first-principles calculations. The thermal conductivity of phosphorene…

Mesoscale and Nanoscale Physics · Physics 2015-10-19 Wen Xu , Liyan Zhu , Yongqing Cai , Gang Zhang , Baowen Li

To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…

Materials Science · Physics 2007-05-23 A. J. H. McGaughey , M. I. Hussein , E. S. Landry , M. Kaviany , G. M. Hulbert

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

Thermal phonon transport in square- and triangular-lattice Si phononic crystal (PnC) nanostructures with a period of 300 nm was investigated by measuring the thermal conductivity using micrometer-scale time-domain thermoreflectance. The…

Mesoscale and Nanoscale Physics · Physics 2015-05-22 Junki Nakagawa , Yuta Kage , Takuma Hori , Junichiro Shiomi , Masahiro Nomura

The thermal conductivities of beta-Ga2O3 single crystals along four different crystal directions were measured in the temperature range of 80-495K using the time domain thermoreflectance (TDTR) method. A large anisotropy was found. At room…

A fundamental understanding of phonon transport in stanene is crucial to predict the thermal performance in potential stanene-based devices. By combining first-principle calculation and phonon Boltzmann transport equation, we obtain the…

Materials Science · Physics 2016-02-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuchen Xu , Xiangchao Zhang , Heyuan Zhu

Graphene and its derivatives distinguish themselves for their large negative thermal expansion even at temperatures as high as 1000K. The linear thermal expansion coefficients (LTEC) of two-dimensional honeycomb structured pure graphene and…

Mesoscale and Nanoscale Physics · Physics 2017-05-01 Sarita Mann , Ranjan Kumar , V. K. Jindal

A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted. Homogeneous graphene and h-BN interfaces exhibit strong…

Mesoscale and Nanoscale Physics · Physics 2026-04-30 Wenwu Jiang , Huasong Qin , Yilun Liu , Wengen Ouyang , Oded Hod , Michael Urbakh

Graphene has drawn wide attention due to its exceptional thermal conductivity but complete understanding of thermal characteristics of polycrystalline graphene is still elusive to date. For the first time, herein, we have systematically…

Materials Science · Physics 2013-04-26 Young I. Jhon , Myung S. Jhon

On the basis of the Kubo formula we evaluated the optical conductivity of a graphene sheet. The full behavior of frequency as well as temperature dependence of the optical conductivity is presented. We show that the anisotropy of…

Mesoscale and Nanoscale Physics · Physics 2008-10-07 Chao Zhang , Lei Chen , Zhongshui Ma

Assuming diffusive carrier transport and employing an effective medium theory, we calculate the temperature dependence of bilayer graphene conductivity due to Fermi-surface broadening as a function of carrier density. We find that the…

Mesoscale and Nanoscale Physics · Physics 2010-09-08 Shaffique Adam , M. D. Stiles

We present an analytic calculation of the conductivity of pure graphene as a function of frequency $\omega $, wave-vector $k$, and temperature for the range where the energies related to all these parameters are small in comparison with the…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 L. A. Falkovsky , A. A. Varlamov

The resistivity of gated graphene is studied taking into account electron and hole scattering by short- and long-range structural imperfections the characteristics of disorder were taken from the scanning tunneling microscopy data and by…

Materials Science · Physics 2007-12-29 F. T. Vasko , V. Ryzhii

We report our theoretical calculations on the temperature and energy dependent electrical conductivity of gapped graphene within the framework of Boltzmann transport formalism. Since screening effects have known to be of vital importance in…

Mesoscale and Nanoscale Physics · Physics 2015-04-07 Digish K Patel , A C Sharma , S S Z Ashraf

We develop the theory of heat conductivity in supported graphene, accounting for coherent phonon scattering on disorder induced by an amorphous substrate. We derive spectra for in-plane and out-of-plane phonons in the framework of Green's…

Mesoscale and Nanoscale Physics · Physics 2017-03-03 Sergei Koniakhin , Oleg Utesov , Ivan Terterov , Anton Nalitov

Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…

Materials Science · Physics 2016-06-29 Xufei Wu , Vikas Varshney , Jonghoon Lee , Teng Zhang , Jennifer L. Wohlwend , Ajit K. Roy , Tengfei Luo

Hotspot is a ubiquitous phenomenon in microdevices/chips. In homogeneous nanoscale graphene disk with a hotspot, a graded thermal conductivity is observed previously even when the system size is fixed. However, the underlying physical…

Mesoscale and Nanoscale Physics · Physics 2021-08-05 Chuang Zhang , Dengke Ma , Manyu Shang , Xiao Wan , JingTao Lü , Zhaoli Guo , Baowen Li , Nuo Yang

Coherent wave effects of thermal phonons hold promise of transformative opportunities in thermal transport control but remain largely unexplored due to the small wavelength of thermal phonons, typically below a few nanometers. This small…

Materials Science · Physics 2019-10-09 Usama Choudhry , Shengying Yue , Bolin Liao

We have investigated thermal conductivity of graphene laminate films deposited on polyethylene terephthalate substrates. Two types of graphene laminate were studied - as deposited and compressed - in order to determine the physical…

Materials Science · Physics 2014-11-21 H. Malekpour , K. -H. Chang , J. -C. Chen , C. -Y. Lu , D. L. Nika , K. S. Novoselov , A. A. Balandin