The Thermal Conductivity of Magnesium Selenide

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magnesium selenide (MgSe) is a wide bandgap semiconductor with applications in optoelectronics and energy conversion technologies. In particular, it is widely used in laser materials for laser diodes and solid state lasers.

The thermal conductivity of MgSe varies with the crystal phase, which is related to its lattice structure. It is important for optimum design of thermal transport in MgSe based devices such as semiconductor lasers and solar cells. In this work, we studied the temperature and length dependence lattice thermal conductivity of magnesium selenide in different crystalline phases; zincblende, rocksalt, wurtzite and nickel arsenic using first-principles computations.

This study revealed that the overall thermal conductivity of MgSe increases as a function of the crystal phase, which reduces the phonon dispersion. In addition, the temperature and length dependence lattice energy of MgSe decreases as a function of the crystal phase. This study demonstrates that MgSe is a good candidate for future high performance laser materials, and that a high degree of control can be achieved via its crystallographic phases.

Synthetic MgSe nanocrystals may be prepared via a wet chemical method in which a first precursor including Mg is reacted with a second precursor including Se in the presence of a ligand compound in an organic solvent, and optionally together with a third precursor containing a metal element. The ligand compound may include a carboxylic acid, a carbonyl group, or a hydroxyl group. The solvent may include an alcohol, a hydrocarbon, a polar organic compound, a non-polar organic compound, or a mixture thereof.