First-principles study of structure and nonlinear optical properties of CdHg(SCN)<sub>4</sub> crystal<xref ref-type="fn" rid="cpb141115fn1">*</xref>

First-principles study of structure and nonlinear optical properties of CdHg(SCN)₄ crystal*

Zhang Peng^a), Kong Chui-Gang^a), Zheng Chao^a), Wang Xin-Qiang^b), Ma Yue^a), Feng Jin-Bo^a), Jiao Yu-Qiu^a), Lu Gui-Wu^a)†

(a) TDOS, (b) Hg-PDOS, (c) Cd-PDOS, (d) S-PDOS, (e) N-PDOS, (f) C-PDOS of CMTC crystals.