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First-principles calculation and experimental investigation of lattice dynamics in the rare-earth pyrochlores<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>R</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Ti</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>7</mml:mn></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>(</mml:mo><mml:mrow><mml:mi>R</mml:mi><mml:…

First-principles calculation and experimental investigation of lattice dynamics in the rare-earth pyrochlores<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>R</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Ti</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>7</mml:mn></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mo>(</mml:mo><mml:mrow><mml:mi>R</mml:mi><mml:…

We present a model of the lattice dynamics of the rare-earth titanate pyrochlores ${R}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$ $(R=\mathrm{Tb},\text{Dy},\text{Ho})$, which are important materials in the study of frustrated magnetism. The phonon modes are obtained by density functional calculations, and these predictions are verified by comparison with scattering experiments. Single crystal inelastic neutron scattering is …