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Volumn 110, Issue 12, 2011, Pages

High pressure structural stability of BaLiF 3

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ALKALINE EARTH; AMBIENT CONDITIONS; HIGH PRESSURE; SEMI-EMPIRICAL; STRUCTURAL STABILITIES; X-RAY DIFFRACTION STUDIES;

EID: 84855306483     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3670036     Document Type: Article
Times cited : (30)

References (43)
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    • 0, on the cation as given next, V i = S ij = Q 0. The bond valence difference reflects the strain state of the central cation w.r.t. the surrounding anions. At ambient conditions its value is very small (∼0.1 valence unit) implying no residual strain in the bonds. However, at high pressure the S ij increases due to a decrease in the bond lengths and hence, the difference is larger than 0.1 valence unit. This additional difference is called additional sum mismatch
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.