Publication Date:
2011-06-18
Description:
Author(s): Akifumi Matsumoto, Yukinori Koyama, Atsushi Togo, Minseok Choi, and Isao Tanaka The relationships between the atomic arrangements, electronic structures, and energetics of three sesquioxides, As 2 O 3 , Sb 2 O 3 , and Bi 2 O 3 , are systematically investigated by first-principles lattice-dynamics calculations. Dynamically stable structures of the defective fluorite family are searched for ... [Phys. Rev. B 83, 214110] Published Fri Jun 17, 2011
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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