@article{oai:kanazawa-u.repo.nii.ac.jp:00011088, author = {小田, 竜樹 and 長尾, 秀実 and Oda, Tatsuki and Sugimori, K. and Nagao, Hidemi and Hamada, I. and Kagayama, S. and Geshi, M. and Nagara, H. and Kusakabe, K. and Suzuki, N.}, issue = {36}, journal = {Journal of Physics Condensed Matter}, month = {Sep}, note = {We have studied the ζ-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 ζ-phase and other hypothetical monoatomic crystal structures. The diatomic phase was found to be stable over a wide range of pressure (100-2000GPa). The stacking of molecular layers is discussed in comparison with the available experimental data. © IOP Publishing Ltd., 金沢大学理工研究域 数物科学系}, title = {Oxygen at High Pressures : Theoretical Approach to Monoatomic Phases}, volume = {19}, year = {2007} }