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題名 Calculations of electronic structure of Ge44Mn2Ba8 and Ge42Mn4Ba8 clathrates
作者 楊志開
Yang,Chih-Kai ;Zhao,Jijun ;Lu,Jian Ping
貢獻者 應物所
日期 2004
上傳時間 25-九月-2014 11:47:30 (UTC+8)
摘要 We calculate the electronic structures and magnetism of the germanium clathrate Ge44Mn2Ba8 and obtain a magnetic moment of 0.77mB per manganese atom, which agrees very well with the experimental result. Further calculations for the Ge42Mn4Ba8 clathrate predict a much higher moment of 2.56mB. Detailed analysis of the electronic structures for both cases indicates that magnetism comes solely from the Mn sites and the increased local moment in Ge42Mn4Ba8 is due to stronger interaction between Mn atoms.
關聯 Physical Review B,70(14),073201-1-073201-4
資料類型 article
dc.contributor 應物所en_US
dc.creator (作者) 楊志開zh_TW
dc.creator (作者) Yang,Chih-Kai ;Zhao,Jijun ;Lu,Jian Pingen_US
dc.date (日期) 2004en_US
dc.date.accessioned 25-九月-2014 11:47:30 (UTC+8)-
dc.date.available 25-九月-2014 11:47:30 (UTC+8)-
dc.date.issued (上傳時間) 25-九月-2014 11:47:30 (UTC+8)-
dc.identifier.uri (URI) http://nccur.lib.nccu.edu.tw/handle/140.119/70145-
dc.description.abstract (摘要) We calculate the electronic structures and magnetism of the germanium clathrate Ge44Mn2Ba8 and obtain a magnetic moment of 0.77mB per manganese atom, which agrees very well with the experimental result. Further calculations for the Ge42Mn4Ba8 clathrate predict a much higher moment of 2.56mB. Detailed analysis of the electronic structures for both cases indicates that magnetism comes solely from the Mn sites and the increased local moment in Ge42Mn4Ba8 is due to stronger interaction between Mn atoms.en_US
dc.format.extent 156866 bytes-
dc.format.mimetype application/pdf-
dc.language.iso en_US-
dc.relation (關聯) Physical Review B,70(14),073201-1-073201-4en_US
dc.title (題名) Calculations of electronic structure of Ge44Mn2Ba8 and Ge42Mn4Ba8 clathratesen_US
dc.type (資料類型) articleen