Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)

Haseen, Shariq; Kroll, Peter

doi:10.1016/j.commatsci.2019.109170

Computational Materials Science

2019

DOI: 10.1016/j.commatsci.2019.109170

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Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)

Shariq Haseen

Peter Kroll

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Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)

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References 47 publications

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Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)

Cited by 0 publications

References 47 publications

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Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)