Lattice thermal conductivity of borophene from first principle calculation
نویسندگان
چکیده
منابع مشابه
Lattice thermal conductivity of borophene from first principle calculation
The phonon transport property is a foundation of understanding a material and predicting the potential application in mirco/nano devices. In this paper, the thermal transport property of borophene is investigated by combining first-principle calculations and phonon Boltzmann transport equation. At room temperature, the lattice thermal conductivity of borophene is found to be about 14.34 W/mK (e...
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Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which has attracted tremendous interest recently. Its potential applications in nano-electronics and thermoelectrics call for fundamental study of the phonon transport. Here, we calculate the intrinsic lattice thermal conduct...
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A. H. Romero,1,2 E. K. U. Gross,2 M. J. Verstraete,3 and Olle Hellman4,5 1Department of Physics, West Virginia University, 207 White Hall, 26506, West Virginia, USA 2Max-Planck-Institute für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany 3Department of Physics and European Theoretical Spectroscopy Facility, Université de Liège, av du 6 août, 17, B-4000 Liège, Belgium 4Department of App...
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In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have...
متن کاملComment on “First principles calculation of lattice thermal conductivity in mono- and bi-layer graphene” by B
In a recent preprint Kong et al, arXiv: 0902.0642v1 (2009) claimed to calculate the lattice thermal conductivity of single and bi-layer graphene „from first principles”. The main findings were that the Umklapp-limited thermal conductivity is only slightly higher than that of high-quality bulk graphite along the basal plane, and that it does not strongly depend on the number of atomic layers. He...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2017
ISSN: 2045-2322
DOI: 10.1038/srep45986