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cond-mat.mtrl-sci2026
Optical properties of Ag, Au, and Cu from first principles
Xiao Zhang, Emmanouil Kioupakis
We present a comprehensive framework for investigating the optical response of metals from first principles that combines density functional theory, many-body perturbation theory,…
cond-mat.mtrl-sci2026
Thermodynamic and electronic properties of rutile SnGeO alloys from first principles
Yann L. Müller, Alp Umut Kurbay, Xiao Zhang +2
Rutile SnGeO alloys are promising materials for high-power electronic applications due to their dopability and tunable ultra-wide band gaps. We use first-principl…