Solving δ-Bi2O3-related superstructures by combining neutron powder diffraction and ab initio calculations

Physica B: Condensed Matter

Volumn 385-386 I, Issue , 2006, Pages 193-195

  Ling, Chris D ^a,b  

^a UNIVERSITY OF SYDNEY   (Australia)

^b AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

Author keywords

Bismuth oxide; Density functional theory; Neutron powder diffraction

Indexed keywords

CRYSTAL LATTICES; ENERGY MANAGEMENT; NEUTRON DIFFRACTION; OXYGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

BISMUTH OXIDE; ENERGY MINIMISATION; RIETVELD REFINEMENT; SUPERSTRUCTURES;

BISMUTH COMPOUNDS;

EID: 33751317280     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2006.05.180     Document Type: Article

References (10)

1. Battle P.D., Catlow C.R.A., Drennan J., and Murray A.D. J. Phys. C Solid State Phys. 16 (1983) L561
2. Ling C.D. J. Solid State Chem. 148 (1999) 380
3. Ling C.D., and Johnson M. J. Solid State Chem. 177 (2004) 1838
4. Ling C.D., Withers R.L., Thompson J.G., and Schmid S. Acta Cryst. B 55 (1999) 306
5. Warda S.A., Pietzuch W., Massa W., Kesper U., and Reinen D. J. Solid State Chem. 149 (2000) 209
6. Crumpton T.E., Francesconi M.G., and Greaves C. J. Solid State Chem. 175 (2003) 197
7. Larson A.C., and von Dreele R.B. Software Gsas. The general structure analysis system (1991), Los Alamos National Laboratory, Los Alamos, NM
8. Delley B. J. Chem. Phys. 92 (1990) 508
9. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
10. Buttrey D.J., Jefferson D.A., and Thomas J.M. Mater. Res. Bull. 21 (1986) 739