@article{oai:kyutech.repo.nii.ac.jp:00005828,
 author = {Iikubo, Satoshi and 飯久保, 智 and Shimoyama,  K. and Kawano, Shoya and 河野, 翔也 and Fujii,  M. and Yamamoto,  K. and Matsushita,  M. and Shinmei,  T. and Higo,  Y. and Ohtani,  H.},
 issue = {1},
 journal = {AIP Advances},
 month = {Jan},
 note = {By combining theoretical predictions and in-situ X-ray diffraction under high pressure, we found a novel stable crystal structure of Li3PS4 under high pressures. At ambient pressure, Li3PS4 shows successive structural transitions from γ-type to β-type and from β-type to α type with increasing temperature, as is well established. In this study, an evolutionary algorithm successfully predicted the γ-type crystal structure at ambient pressure and further predicted a possible stable δ-type crystal structures under high pressure. The stability of the obtained structures is examined in terms of both static and dynamic stability by first-principles calculations. In situ X-ray diffraction using a synchrotron radiation revealed that the high-pressure phase is the predicted δ-Li3PS4 phase.},
 pages = {015008-1--015008-9},
 title = {Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure},
 volume = {8},
 year = {2018},
 yomi = {イイクボ, サトシ and カワノ, ショウヤ}
}