Hydrides with the perovskite structure: General bonding and stability considerations and the new representative CaNiH3

Journal of Solid State Chemistry

Volumn 178, Issue 11, 2005, Pages 3381-3388

  Sato, Toyoto ^a   Noréus, Dag ^a   Takeshita, Hiroyuki ^b   Häussermann, Ulrich ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b KANSAI UNIVERSITY   (Japan)

Author keywords

First principles calculations; Metal hydrides; Perovskite structure

Indexed keywords

ALKALINE EARTH METALS; BONDING; CALCIUM COMPOUNDS; COBALT; ELECTRONIC STRUCTURE; HYDRIDES; IRON; NEGATIVE IONS; NICKEL; PROBABILITY DENSITY FUNCTION;

FIRST-PRINCIPLES CALCULATIONS; IONIC COMPOUNDS; METAL HYDRIDES; PEROVSKITE STRUCTURES;

PEROVSKITE;

EID: 27744580643     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2005.08.026     Document Type: Article

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