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cond-mat.mtrl-sci2025
Cu2XSiS4 (X = Ge, Sn, and Pb) materials for solar-cell applications: A DFT+SCAPS-1D simulation
H. Laltlanmawii, L. Celestine, R. Zosiamliana +4
By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investig…
cond-mat.mtrl-sci2025
Half-metallicity and anomalous Slater-Pauling behaviour in half-Heusler CrMnSb
Himanshu Joshi, Shradhanjali Dewan, Lalrin Kima +4
This study provides a first-principles insight into half-Heusler CrMnSb to understand its deviation from the conventional Slater-Pauling semiconducting behavior. CrMnSb, having a v…