Publication Date:
2018-10-11
Description:
Author(s): Kazutaka Abe Zirconium-hydrogen compounds under pressure are investigated by using ab initio density functional calculations. In addition to the high-pressure phases so far predicted, other new metallic phases of ZrH 3 , ZrH 4 , and ZrH 6 are found above about 170, 110, and 150 GPa, respectively. The estimated superc... [Phys. Rev. B 98, 134103] Published Wed Oct 10, 2018
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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