The polar phase of NaNbO3: A combined study by powder diffraction, solid-state NMR, and first-principles calculations

Journal of the American Chemical Society

Volumn 132, Issue 25, 2010, Pages 8732-8746

  Johnston, Karen E ^a   Tang, Chiu C ^b   Parker, Julia E ^b   Knight, Kevin S ^c   Lightfoot, Philip ^a   Ashbrook, Sharon E ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

^b DIAMOND LIGHT SOURCE LTD   (United Kingdom)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DIFFRACTION DATA; FIRST-PRINCIPLES CALCULATION; HIGH RESOLUTION; MAS NMR; MOLTEN SALT; MONOCLINIC DISTORTION; ORTHORHOMBIC PHASE; ORTHORHOMBIC SPACE GROUPS; POLAR PHASE; POWDER DIFFRACTION; REACTION CONDITIONS; SECOND HARMONIC GENERATION; SOL-GEL TECHNIQUE; SOLID STATE METHOD; SOLID STATE NMR; SPACE GROUPS;

FUSED SALTS; GELS; HARMONIC GENERATION; NONLINEAR OPTICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYMORPHISM;

DENSITY FUNCTIONAL THEORY;

SODIUM 23; SODIUM DERIVATIVE; SODIUM NIOBATE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; GEL; HUMAN; NEUTRON; NUCLEAR MAGNETIC RESONANCE; POWDER DIFFRACTION; SOLID STATE; STRUCTURE ANALYSIS; SYNTHESIS; X RAY ANALYSIS;

EID: 77953896849     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja101860r     Document Type: Article

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