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cond-mat.mtrl-sci2025★ 2 cited
Comprehensive landscape and simple rules for transition-metal Heusler semiconductors
Yubo Zhang, Zirui Dong, Jun Luo
Heusler alloys, renowned for their multifunctionality and capacity for vast elemental customization, are primarily classified into half-Heusler (XYZ) and full-Heusler (X2YZ) struct…
cond-mat.mtrl-sci2024
Screening of half-Heuslers with temperature-induced band convergence and enhanced thermoelectric properties
Jinyang Xi, Zirui Dong, Menghan Gao +2
Enhancing band convergence is an effective way to optimize the thermoelectric (TE) properties of materials. However, the temperature-induced band renormalization is commonly ignore…