Bibliographic Details
| Title: |
First-principles investigation of electronic, structural, and magnetic properties of Si substituted cerium phosphide compounds CeSixP1-x. |
| Authors: |
Mahmood, A.1 ahayat@ksu.edu.sa, Al Masary, W. A.1, Ramay, S. M.2 |
| Source: |
Journal of Ovonic Research. Jul/Aug2024, Vol. 20 Issue 4, p467-481. 15p. |
| Subject Terms: |
*ENERGY-band theory of solids, *ELECTRONIC density of states, *CERIUM alloys, *MAGNETIC moments, *KONDO effect |
| Abstract: |
Cerium compounds have invited enough attention from scientists and researchers with respect to practical and fundamental implications having exotic physical, electronic, and magnetic properties like the kondo effect, anisotropic magnetic order, giant Hall effect and superconductivity. Hereby, we describe the mechanical stability and present the electronic, structural, and magnetic properties of new silicon-doped alloys of Cerium Phosphide with generic formula CeSixP1-x (x=0, 0.25, 0.5, 0.75 and 1.0) by using Wien2k code through DFT formalism. The simulation employs generalized gradient approximation through Perdew Bruke Ernzerhof with spin mode. The computed variables are lattice constants, volume, bulk modulus, pressure derivatives, and energy for structural studies. The partial and total densities of states and electronic energy band structures are calculated for electronic studies of these compounds. The magnetic properties of these compounds are described by computing spin magnetic moments. These doped alloys are predicated on being structurally stable, metallic, and non-magnetic materials. [ABSTRACT FROM AUTHOR] |
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| Database: |
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