Cubic-to-tetragonal phase transition of HfO2 from computational study

Materials Letters

Volumn 62, Issue 10-11, 2008, Pages 1484-1486

  Terki, R ^a,c   Bertrand, G ^a   Aourag, H ^b   Coddet, C ^a  

^a UNIVERSITÉ DE TECHNOLOGIE DE BELFORT MONTBÉLIARD   (France)

^b UNIVERSITY OF TLEMCEN   (Algeria)

^c ÉCOLE POLYTECHNIQUE DE MONTRÉAL   (Canada)

Author keywords

FP LAPW; HfO2 polymorphs; Phase transition

Indexed keywords

COMPUTATION THEORY; GROUND STATE; PARAMETER ESTIMATION; PHASE TRANSITIONS;

FP-LAPW; KOHN-SHAM EQUATIONS;

HAFNIUM COMPOUNDS;

EID: 38849151688     PISSN: 0167577X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matlet.2007.09.006     Document Type: Article

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