%0 Journal Article
%T Pressure Induced Metallization in the ε Phase of Solid Oxygen by ab initio Pseudopotential Plane-Wave Calculations
%A 刘艳辉
%A 刘志明
%A 马琰铭
%A 何志
%A 田夫波
%A 崔田
%A 刘冰冰
%A 邹广田
%J 中国物理快报
%D 2007
%I 
%X We perform an ab initio study on the electronic structure and charge density of the c-oxygen under high pressure, which is obtained by powder x-ray diffraction experiment recently. Our results show that the hybridization among the σg^＊, πu and πg^＊ bands in the e-oxygen are not significant even at megabar pressure. Pressure-induced metallization occurs due to the band overlapping near the Fermi level at about 50 GPa. A new network along the b-axis is formed and the 08 characteristic in the e phase disappears above 50 GPa even though the symmetry remains unchanged.
%K 压强
%K 金属化
%K 相位
%K 固体
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=F548AA65E31308E3A6D681BF5C780F69&yid=A732AF04DDA03BB3&vid=B91E8C6D6FE990DB&iid=708DD6B15D2464E8&sid=13EFB8FF48A8C7FA&eid=69B79AFFE576C0B3&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=23