[Wien] Piezoelectric properties

Oleg Rubel rubelo at tbh.net
Thu Apr 14 16:17:15 CEST 2011


Dear Wien2k users and developers,

I am curious whether it is possible to extract piezoelectric properties (e.g., derivative of polarization with respect to strain) using Wien2k? It seems that there is no such a functionality documented in the UG, but maybe there some indirect ways. Ideally, it would be great to reproduce results of Saghi-Szabo et al. [PRL 80, 4321 (1998)] obtained using Berry's phase approach.

Thank you in advance
Oleg 
-- 

Oleg Rubel, PhD
Scientist, Thunder Bay Regional Research Institute
Adjunct Professor, Dept Physics, Lakehead University
290 Munro St, Thunder Bay, P7A 7T1, Ontario, Canada
Phone: +1-807-7663350
Fax: +1-807-3441948
E-mail: orubel at lakeheadu.ca
Homepage: http://www.tbrri.com/~orubel/



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