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