Open AccessInvestigation on half-metallic ferromagnetism in Phosphorous doped SmN-Band structure study
Author(s) -
M. Muthumari,
M. Manjula,
M. Sundareswari,
E. Viswanathan
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1770/1/012093
Subject(s) - spintronics , condensed matter physics , density functional theory , ferromagnetism , supercell , materials science , electronic structure , electronic band structure , charge density , ground state , plane wave , phase (matter) , doping , physics , chemistry , computational chemistry , atomic physics , quantum mechanics , thunderstorm , meteorology
Rare earth nitrides with electronic and magnetic properties would be advantages for the development of spintronic devices. Structural, electronic, magnetic and elastic properties of rare earth nitrides namely SmN and SmN 0.5 P 0.5 compounds are studied by using the spin-polarized full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). A supercell scheme is used to carry out the ground state calculations of SmN 0.5 P 0.5 . The structural parameters, band structure, density of states and charge densities have been analysed by generalized gradient approximation (GGA) for ferromagnetic phase and the results are verified by using charge density plots.