Publication Date:
2015-11-14
Description:
Author(s): Jin Zhang, Artem R. Oganov, Xinfeng Li, Kan-Hao Xue, Zhenhai Wang, and Huafeng Dong Using first-principles evolutionary simulations, we have systematically investigated phase stability in the Hf-O system at pressure up to 120 GPa. New compounds Hf 5 O 2 , Hf 3 O 2 , HfO, and HfO 3 are discovered to be thermodynamically stable at certain pressure ranges. Two new high-pressure phases are found… [Phys. Rev. B 92, 184104] Published Fri Nov 13, 2015
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
Permalink