Valence band modulation and the p-type conducting mechanism of LiMCh2 (M = Al, Ga, In and Ch = S, Se, Te) semiconductors driven by low-electronegativity anions - Zhong, Mi; Zheng-Tang, Liu; Qi-Jun, Liu (Physical chemistry chemical physics : PCCP, 2025)
Keywords: Anions; Damping; Defects; Density functional theory; Electronegativity; Gallium; Hole mobility; Optical properties; Orbitals; Oxygen ions; Selenium; Semiconductors; Tellurium; Valence band