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ファイル | 記述 | サイズ | フォーマット | |
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j.physb.2017.10.089.pdf | 8.49 MB | Adobe PDF | 見る/開く |
タイトル: | Theoretical band structure of the superconducting antiperovskite Sr₃₋ₓ SnO |
著者: | Ikeda, Atsutoshi, Fukumoto, Toshiyuki Oudah, Mohamed Hausmann, Niklas Jan Yonezawa, Shingo https://orcid.org/0000-0002-7476-3604 (unconfirmed) Kobayashi, Shingo Sato, Masatoshi Tassel, Cedric https://orcid.org/0000-0002-8867-4813 (unconfirmed) Takeiri, Fumitaka Takatsu, Hiroshi https://orcid.org/0000-0001-5792-0113 (unconfirmed) Kageyama, Hiroshi Maeno, Yoshiteru |
著者名の別形: | 池田, 敦俊 米澤, 進吾 佐藤, 昌利 高津, 浩 陰山, 洋 前野, 悦輝 |
キーワード: | Superconductivity Antiperovskite oxide Inverse perovskite oxide First-principles band calculation |
発行日: | 1-May-2018 |
出版者: | Elsevier BV |
誌名: | Physica B: Condensed Matter |
巻: | 536 |
開始ページ: | 752 |
終了ページ: | 756 |
抄録: | In order to investigate the position of the strontium deficiency in superconductive Sr₃₋ₓ SnO, we synthesized and measured X-ray-diffraction patterns of Sr₃₋ₓ SnO (x ~ 0.5). Because no clear peaks originating from superstructures were observed, strontium deficiency is most likely to be randomly distributed. We also performed first-principles band-structure calculations on Sr₃₋ₓ SnO (x = 0, 0.5) using two methods: full-potential linearized-augmented plane-wave plus local orbitals method and the Korringa-Kohn-Rostoker Green function method combined with the coherent potential approximation. We revealed that the Fermi energy of Sr₃₋ₓ SnO in case of x ~ 0.5 is about 0.8 eV below the original Fermi energy of the stoichiometric Sr₃SnO, where the mixing of the valence p and conduction d orbitals are considered to be small. |
著作権等: | © 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/. The full-text file will be made open to the public on 1 May 2020 in accordance with publisher's 'Terms and Conditions for Self-Archiving'. This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 |
URI: | http://hdl.handle.net/2433/250419 |
DOI(出版社版): | 10.1016/j.physb.2017.10.089 |
出現コレクション: | 学術雑誌掲載論文等 |
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