Stability and mechanical properties of various Hf–H phases: A density-functional theory study<xref rid="cpb_26_10_106103_fn1" ref-type="fn">*</xref> <fn id="cpb_26_10_106103_fn1"> <label>*</label> <p>Project supported by the National Natural Science Foundation of China (Grant Nos. 51401030 and 51504033).</p> </fn>

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 Wei^{1, 2}, Sun Lu¹, Huang Shu-Hui¹, Wang Jian-Wei¹, Cheng Lei¹, Wang Li-Gen^{1, †}

(color online) Comparison of densities of states of (a) the HCP Hf₂ phase and (b) HCP(T), and (c) HCP(O) Hf₂H phases. The red and blue curves represent H-s and Hf-d DOS, respectively. The Fermi energy is shifted to 0 eV.