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Title: Calculations of electronic structure of Ge44Mn2Ba8 and Ge42Mn4Ba8 clathrates
Authors: 楊志開
Yang,Chih-Kai;Zhao,Jijun;Lu,Jian Ping
Contributors: 應物所
Date: 2004
Issue Date: 2014-09-25 11:47:30 (UTC+8)
Abstract: 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.
Relation: Physical Review B,70(14),073201-1-073201-4
Data Type: article
Appears in Collections:[應用物理研究所 ] 期刊論文

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