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Volumn 79, Issue 10, 2009, Pages

First-principles prediction of disordering tendencies in pyrochlore oxides

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EID: 64149120166     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.104203     Document Type: Article
Times cited : (151)

References (39)
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  • 29
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    • The electronegativity of Sn (1.96) is much larger than that of Ti (1.54), which is in turn larger than those of Hf (1.3) and Zr (1.33).
    • The electronegativity of Sn (1.96) is much larger than that of Ti (1.54), which is in turn larger than those of Hf (1.3) and Zr (1.33).
  • 33
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    • While x is sensitive to disorder, some properties such as lattice parameter are not and comparisons between theory and experiment are still meaningful in such cases.
    • While x is sensitive to disorder, some properties such as lattice parameter are not and comparisons between theory and experiment are still meaningful in such cases.


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