The theoretical study on the spin states of the perovskite-type KCoF 3 solid

e-Journal of Surface Science and Nanotechnology

Volumn 5, Issue , 2007, Pages 17-19

  Onishi, Taku ^a   Yoshioka, Yasunori ^a  

^a MIE UNIVERSITY   (Japan)

Author keywords

Ab initio quantum chemical methods and calculations; Charge density population; Cobalt; Computer simulations; Density functional calculations; Magnetic phenomena; Perovskite type transition metal solid; Spin density population

Indexed keywords

COBALT; COMPUTER SIMULATION; CURRENT DENSITY; GROUND STATE; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS; CHARGE DENSITY POPULATION; DENSITY FUNCTIONAL CALCULATIONS; MAGNETIC PHENOMENA; PEROVSKITE-TYPE TRANSITION METAL SOLID; SPIN DENSITY POPULATION;

PEROVSKITE;

EID: 33846477382     PISSN: None     EISSN: 13480391     Source Type: Journal    
DOI: 10.1380/ejssnt.2007.17     Document Type: Conference Paper

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