Yann L. Müller

Thermodynamic and electronic properties of rutile <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi mathvariant="normal">Sn</mml:mi> <mml:mrow> <mml:mn>1</mm

Rutile Sn 1 − x Ge x O 2 alloys are promising materials for high-power electronic applications due to their dopability and tunable ultrawide band gaps. We use first-principles density functional theory and statistical mechanics to investigate the crystallographic, electronic, and ther...