Stability and mechanical properties of various Hf–H phases: A density-functional theory study*

Project supported by the National Natural Science Foundation of China (Grant Nos. 51401030 and 51504033).

Xiao Wei1, 2, Sun Lu1, Huang Shu-Hui1, Wang Jian-Wei1, Cheng Lei1, Wang Li-Gen1, †
       

(color online) Heats of formation of HfHx phases as a function of hydrogen concentration.