This article is cited in 7 papers

Semiconductors

Molecular-dynamics calculation of the thermal conductivity coefficient of the germanium single crystal

A. A. Seleznev^a, A. Yu. Aleinikov^a, P. V. Yermakov^a, N. S. Ganchuk^a, S. N. Ganchuk^a, R. E. Jones<sup>b

a</sup> Joint Stock Company "Sarov Laboratories"
^b Sandia National Laboratories, Livermore, USA

Abstract: The thermal conductivity coefficient of the germanium crystal lattice has been calculated by molecular dynamics simulation. Calculations have been performed for both the perfect crystal lattice and the crystal lattice with defects such as monovacancies. For the perfect germanium single crystal, the dependence of the thermal conductivity coefficient on the lattice temperature has been obtained in the temperature range of 150–1000 K. The thermal conductivity coefficient of the germanium lattice has been calculated as a function of the monovacancy concentration.

Received: 01.06.2011

 English version: Physics of the Solid State, 2012, 54:3, 462–467

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