Thermal conductivity of magnesium selenide (MgSe)–A first principles study

Abstract Wide bandgap semiconductor has recently attracted attraction for power electronics, thermoelectric and high temperature applications. Magnesium Selenide (MgSe) is a wide bandgap semiconductor extensively studied for its electronic, magnetic, optical and structural properties. In this work, we report the temperature and length dependence lattice thermal conductivity of magnesium selenide (MgSe) with different crystallographic phase; zincblende (ZB), rocksalt (RS), wurtzite (WZ) and nickel arsenic (NiAs) using first principles computations. Our first principles calculations results shows a low thermal conductivity of MgSe with kNiAs