High Pressure Properties of Lutetium Monopnictides (LuX, X = N, P, As)

High Pressure Properties of Lutetium Monopnictides (LuX, X = N, P, As)

Theoretical Study at High Pressure : Phase Transition, Electronic and Thermal Properties of LuN, LuP and LuAs Compounds

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In this book we have systematically investigated and represented the structural, electronic, phase transition, thermal properties of the heaviest lanthanide compounds (LuX, X = N, P, As) viz. lutetium nitride (LuN), lutetium phosphide (LuP) and lutetium arsenide (LuAs) using an ab-initio calculations based on the density functional theory (DFT). In the subsequent section crystal structure, symmetry and space group have been discussed which are related to Lutetium Monopnictides. It is followed by a brief discussion of rare-earth ions. Survey of the literature on the theoretical and experimental...