First-principles study of phase transitions in antiferromagnetic XF 2 (X = Fe, Co and Ni)

Solid State Communications

Volumn 151, Issue 20, 2011, Pages 1475-1478

  Wang, Hongbo ^a   Liu, Xin ^a   Li, Yinwei ^a   Liu, Yanhui ^b   Ma, Yanming ^a  

^a JILIN UNIVERSITY   (China)

^b YANBIAN UNIVERSITY   (China)

Author keywords

A. Antiferromagnetic; D. Raman active mode; D. Shear modulus; E. First principles calculations

Indexed keywords

AB INITIO CALCULATIONS; ANTIFERROMAGNETICS; CELL VOLUME; DRIVEN FORCE; E. FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDY; MECHANICAL INSTABILITIES; RAMAN ACTIVE MODES; RUTILE PHASE; SECOND ORDERS;

ANTIFERROMAGNETISM; CALCIUM CHLORIDE; CALCULATIONS; CESIUM; CESIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; LATTICE CONSTANTS; OXIDE MINERALS; PHASE TRANSITIONS; SHEAR STRAIN;

ANTIFERROMAGNETIC MATERIALS;

EID: 80052263472     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2011.06.036     Document Type: Article

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