Ontology highlight
ABSTRACT:
SUBMITTER: Liu Y
PROVIDER: S-EPMC4476111 | biostudies-literature | 2015 Jun
REPOSITORIES: biostudies-literature
Liu Yunxian Y Huang Xiaoli X Duan Defang D Tian Fubo F Liu Hanyu H Li Da D Zhao Zhonglong Z Sha Xiaojing X Yu Hongyu H Zhang Huadi H Liu Bingbing B Cui Tian T
Scientific reports 20150622
The crystal structures and properties of hafnium hydride under pressure are explored using the first-principles calculations based on density function theory. The material undergoes pressure-induced structural phase transition I4/mmm → Cmma → P21/m at 180 and 250 GPa, respectively, and all of these structures are metallic. The superconducting critical temperature Tc values of I4/mmm, Cmma, and P21/m are 47-193 mK, 5.99-8.16 K and 10.62-12.8 K at 1 atm, 180 and 260 GPa, respectively. Furthermore, ...[more]