Ab intio investigation of electronic and magnetic properties of Ca1-x TMx Te (TM = V, Cr, and Mn)

Daoudi, Youcef; Mazouz, Hadj Moulay Ahmed; Fadla, Mohamed Abdelilah; Benghia, Ali

doi:10.1016/j.jmmm.2021.168315

Cited by 4 publications

(1 citation statement)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…While studying structural and magneto-electronic performance of Ba1 − xCrxS, they discovered the half-metallic characteristic with ferromagnetic state of these compounds with better magnetoelectronic performances, which makes them appropriate materials for spin-injection applications [14]. In 2021, Youcef Daoudi et al [15] studied Ca 1−x TM x Te (TM = V, Cr, Mn) compounds with concentration of x = 0.25, 0.125, and 0.0625. They discovered that half-metallicity of Cr-doped CaTe is due to p-d hybridization around Fermi level, and the ferromagnetic ground state of Ca1-xCrxTe could be explained by a double exchange mechanism.…”

Section: Introductionmentioning

confidence: 99%

Electronic and Magnetic Properties of Cr and V Doped CaZ (Z = S, Se)

Kumar

Rani²,

AlShaikhi

2023

Crystals

View full text Add to dashboard Cite

Using first-principle spin-density functional computations, the structural, magnetic, and electronic properties of the Cr- and V-doped diluted magnetic semiconductors Ca1-xCrxS and Ca1-xVxSe at x = 0.25 in the B1 (NaCl) phase are explored. Elastic constants and structural properties (lattice constants, bulk modulus, and its pressure derivative) were calculated and used to establish structure stability. Plots of the TDOS and PDOS of transition metal atom-doped CaZ at x = 0.25 and pure CaZ (Z = S, Se) are presented. Cr-doped CaZ (Z = S, Se) shows half-metallic character at x = 0.25 and is stable in ferromagnetic state, while that of V-doped CaZ compounds shows semiconductor behavior and is stable in antiferromagnetic state. Dispersion of phonons was also evaluated to check the global minima of energy in pure CaZ compounds. Curie temperature, magnetic moments, and exchange constants were also calculated for all doped systems. The current results are in excellent agreement with earlier research. Our current findings imply that CaZ doped with Cr/V (Z = S, Se) would make a promising option for spintronic applications.

show abstract

Section: Introductionmentioning

confidence: 99%