DFT + U study of the structural and electronic properties of the ferromagnetic and antiferromagnetic ordering in the PbS-based ternary alloys Pb1-xEuxS (x = 0.25, 0.50, 0.75 and 1)

Solid State Sciences

Volumn 18, Issue , 2013, Pages 24-35

  Wong, Kin Mun ^a   Alay E Abbas, S M ^b,c   Shaukat, A ^c   Lei, Yong ^a  

^a ILMENAU UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF FAISALABAD   (Pakistan)

^c UNIVERSITY OF SARGODHA   (Pakistan)

Author keywords

Alloys; Correlated calculations; Electronic structure; Magnetic ordering; Optimization of EC functional

Indexed keywords

ANTIFERROMAGNETICS; COMPOSITION RANGES; DIRECT BAND GAP; ELECTRONIC ENERGY STATE; EXPERIMENTAL VALUES; F-ELECTRONS; FERROMAGNETIC AND ANTI-FERROMAGNETIC; GENERALIZED GRADIENT APPROXIMATIONS; MAGNETIC ORDERS; NONMAGNETICS; PARAMETERIZATION SCHEMES; PARTIAL DENSITY OF STATE; PHYSICAL INTERPRETATION; ROCK SALT; SELF-INTERACTION CORRECTIONS; SPIN-ORBIT COUPLINGS;

ALLOYS; ANTIFERROMAGNETISM; BAND STRUCTURE; CALCULATIONS; CERIUM ALLOYS; ELECTRONIC STRUCTURE; EUROPIUM; EUROPIUM COMPOUNDS; FERROMAGNETIC MATERIALS; FERROMAGNETISM; LEAD; LEAD COMPOUNDS; MAGNETIZATION; STRUCTURAL OPTIMIZATION; TERNARY ALLOYS;

ELECTRONIC PROPERTIES;

EID: 84873821527     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2012.12.008     Document Type: Article

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