First-principles investigation of B-site ordering in Ba(MgxTa1-x)O3 microwave dielectrics with the complex perovskite structure

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

Volumn 39, Issue 3 A, 2000, Pages 1241-1248

  Takahashi, Takeshi ^a,b   Wu, Eric J ^a   Van Der Ven, Anton ^a   Ceder, Gerbrand ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b TDK CORPORATION   (Japan)

Author keywords

Ba(Mg1 3Ta2 3)O3; Charge density distribution; Cluster expansion; Density of states; First principles; Microwave dielectrics; Monte Carlo simulation; Order disorder transition

Indexed keywords

BARIUM COMPOUNDS; COMPUTER SIMULATION; ELECTRONIC DENSITY OF STATES; GROUND STATE; HIGH TEMPERATURE EFFECTS; LOW TEMPERATURE OPERATIONS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NUMERICAL METHODS; ORDER DISORDER TRANSITIONS; POSITIVE IONS;

CHARGE DENSITY DISTRIBUTION; CLUSTER EXPANSION TECHNIQUE; FIRST PRINCIPLES; MICROWAVE DIELECTRICS;

DIELECTRIC MATERIALS;

EID: 0033742219     PISSN: 00214922     EISSN: None     Source Type: Journal    
DOI: 10.1143/jjap.39.1241     Document Type: Article

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