Ab initio elastic constants for the lonsdaleite phases of C, Si and Ge

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Published 18 July 2003 • Published under licence by IOP Publishing Ltd
, , Citation S Q Wang and H Q Ye 2003 J. Phys.: Condens. Matter 15 5307 DOI 10.1088/0953-8984/15/30/312

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1 Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, People's Republic of China

2 Institute of Physical Metallurgy and Metal Physics, RWTH, Kopernikusstraße 14, D-52056 Aachen, Germany

Dates

  1. Received 16 April 2003
  2. Published

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0953-8984/15/30/5307

Abstract

The elastic constants of lonsdaleite C, Si and Ge are calculated by using the plane-wave pseudopotential method in the scheme of density functional theory and the local density approximation. For comparison, the elastic constants of the cubic diamond phases of these elements, zincblende SiC and 6H–SiC, are also calculated.

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10.1088/0953-8984/15/30/312