High Pressure Phase Transition Properties of Neodymium Monopnictides. Structural, Electronic & Phase Transition Properties of NdP, NdAs and NdSb Compounds : A full Potential Approach

      Аннотация: This book deals with the ab-initio full–potential based computation of various crystal properties of Neodymium monopnictides ( NdX, X = P, As and Sb ) at ambient and high pressure conditions. These materials are crystallize in the rock salt structures at ambient pressure. In this book we have systematically investigated and represented the structural, electronic and phase transition properties of the lanthanide compounds so as reader gets the basic understanding of the subject and get idea of research work done in the field of Nd-monopnictides. Upon the application of certain amount of pressure on the materials they undergo structural change, which is one of the fascinating properties found in these materials. The computed values of a, B0, B0', E0 and PT are obtained for Nd-compounds are tabulated. The computed results are capable to explain successfully the crystal properties of NdX. This book would be equally useful to the theoreticians and the experimentalists in the various fields of natural sciences, research, engineering and technology.

Ключевые слова: HIGH PRESSURE PHYSICS, DFT, NDP, NdAs, NdSb