%0 Journal Article
%T Structural, Elastic and Electronic Properties of ReO2<br>
%A LI Yan-Ling
%A ZENG Zhi
%A <br>
%J 中国物理快报
%D 2008
%I 
%X Structural, elastic and electronic properties of ReO2 are investigated by first-principles calculations based on density functional theory. The ground stateof ReO2 has an orthorhombic symmetry which belongs to space group Pbcn with a=4.7868  b=5.5736 , and c=4.5322 . The calculated bulk moduli are 322GPa, 353GPa, and 345GPa for orthorhombic, tetragonal, and monoclinic ReO2, respectively, indicating that ReO2 has a strong incompressibility. ReO2 is a metal ductile solid and presents large elastic anisotropy. The obtained Debye temperatures are 850K for orthorhombic, 785K for tetragonal, and 791K for monoclinic ReO2.
%K 62
%K 20
%K -x
%K 71
%K 15
%K Mb
%K 71
%K 20
%K -b<br>
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=0BE57B4AC6D54F4CB528F49117734B14&yid=67289AFF6305E306&vid=C5154311167311FE&iid=708DD6B15D2464E8&sid=DDBCE11DCA6A9E28&eid=E5F3F4BD6AAFE489&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=0