スギモリ キミカズ
  杉森 公一
   所属   高等教育推進センター
   職種   教授
言語種別 英語
発行・発表の年月 2007/09
形態種別 学術論文
査読 査読あり
標題 Oxygen at high pressures: a theoretical approach to monoatomic phases
執筆形態 共著
掲載誌名 JOURNAL OF PHYSICS-CONDENSED MATTER
出版社・発行元 IOP PUBLISHING LTD
巻・号・頁 19(36),pp.365211(7pp)
著者・共著者 T. Oda,K. Sugimori,H. Nagao,I. Hamada,S. Kagayama,M. Geshi,H. Nagara,K. Kusakabe,N. Suzuki
概要 We have studied the. xi-phase of solid oxygen using the generalized gradient approximation in the density functional approach. Calculations of total energies and pressures have been carried out for the prototype of diatomic. xi-phase and other hypothetical monoatomic crystal structures. The diatomic phase was found to be stable over a wide range of pressure (100-2000 GPa). The stacking of molecular layers is discussed in comparison with the available experimental data.
DOI 10.1088/0953-8984/19/36/365211
ISSN 09538984