2 papers
cond-mat.mtrl-sci2026
Orbital occupation selects structural dimensionality in binary transition-metal oxides
Deping Guo, Renhong Wang, Cong Wang +6
Orbital-lattice coupling in transition-metal oxides is usually discussed within a given bonding framework, where orbital occupation is intertwined with local coordination, strain,…
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…