Abstract
Vol 1 Issue 1
Structural, Elastic, and Electronic Properties of Holmium based Compounds HoX3 (X = Pd, Pt)
Pages: 29-33
Doi:
Doi URL: http://doi.org/10.54738/MI.2021.1104
The elastic, electronic, and structural features of the binary compounds HoX3 (X = Pd, Pt) are theoretically studied using density functional theory. The implications of include the exchange-correlation potential is investigated using a generalized gradient approximation with an extra Hubbard-U component to account for the Coulomb on-site interaction (GGA+U). Elastic constants of these compounds are calculated, and their properties are examined. In addition, additional essential factors such as the Poisson's ratio, Young moduli, Shear moduli, Bulk moduli, and Cauchy pressure are studied. These compounds are both ductile and mechanically stable. Their band structures and state occupancy in spin-up and spin-down modes show the metallic character of these compounds.
Keywords: Intermetallic compounds,Electronic properties,Structural Properties,Elastic properties
Materials Innovations (MI) is an interdisciplinary journal devoted to significant experimental and theoretical findings on the synthesis, structure, charachterization, processing and applications of materials. Materials Innovations is dedicated to publishing peer reviewed novel, cutting edge reports of broad interest to the materials science community.