First principles density functional calculations of half-metallic ferromagnetism in Zn1-xCrxS and Cd1-xCrxS

Current Opinion in Solid State and Materials Science

Volumn 14, Issue 1, 2010, Pages 1-6

  Nazir, S ^a   Ikram, N ^a   Siddiqi, S A ^a   Saeed, Y ^b   Shaukat, A ^b   Reshak, Ali Hussain ^c  

^a UNIVERSITY OF THE PUNJAB   (Pakistan)

^b GOVERNMENT COLLEGE UNIVERSITY   (Pakistan)

^c UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

Author keywords

DFT; Diluted magnetic semiconductors; FPLAPW; Magnetic and structural properties

Indexed keywords

ANTIFERROMAGNETIC STATE; DENSITY OF STATE; DILUTE MAGNETIC SEMICONDUCTORS; DILUTED MAGNETIC SEMICONDUCTORS; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTRONIC BAND STRUCTURE; EXCHANGE CONSTANTS; EXCHANGE-CORRELATION FUNCTIONALS; FERROMAGNETIC SEMICONDUCTOR; FERROMAGNETIC SPIN; FIRST-PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; FP-L/APW+LO; FP-LAPW; FREE SPACE; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; HALF-METALLIC; HALF-METALLIC FERROMAGNETISM; HALF-METALLICITY; LOCAL MAGNETIC MOMENTS; LOCAL ORBITALS; MAGNETIC NATURE; NONMAGNETICS; P-TYPE DOPING; PARTIAL DENSITY OF STATE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; ZINC BLENDE;

ANTIFERROMAGNETISM; BAND STRUCTURE; CADMIUM ALLOYS; CHROMIUM; FERROMAGNETIC MATERIALS; FERROMAGNETISM; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING CADMIUM COMPOUNDS; SEMICONDUCTOR DOPING; SPIN DYNAMICS; STRONTIUM COMPOUNDS; ZINC;

DENSITY FUNCTIONAL THEORY;

EID: 71549170226     PISSN: 13590286     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cossms.2009.08.001     Document Type: Article

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