Publication Date:
2012-03-09
Description:
Author(s): Kazuhito Ohsawa, Keisuke Eguchi, Hideo Watanabe, Masatake Yamaguchi, and Masatoshi Yagi We present a first-principles study of stable configurations of single and multiple H atoms in a monovacancy in bcc transition metals and binding energies of the H atoms to the monovacancy. Typical bcc transition metals are group-V elements (V, Nb, and Ta), group-VI elements (Cr, Mo, and W), and Fe.... [Phys. Rev. B 85, 094102] Published Thu Mar 08, 2012
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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