Theoretical Study of Physical Properties of YbN, YbP and YbAs Compound. Structural, Electronic, Magnetic and Thermal Properties of YbN, YbP and YbAs Compounds

      Аннотация: This book deals with the ab-initio full–potential based computation of various crystal properties of ytterbium monopnictides (YbX, X=N, P, and As) at ambient and high pressure conditions. These materials are crystallize in the rock salt structures at ambient pressure. In the RE compounds, the electrons hybridized between two states, which have nearly equal energy. These properties have been correlated with existence of unfilled f electron shell of RE ions, which therefore interact strongly with the lattice. This book provides extensive investigation on the high pressure structural, Electronic and thermal properties of YbX so as reader gets the basic understanding of the subject and get idea of recent research work done so far in the field of Yb 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 results are capable to explain successfully the crystal properties of YbX. 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: structural, electronic, Band Structure of YbX, rare earth compounds, Density functional theory