Comparison of thermodynamic stabilities and mechanical properties of CO2, SiO2, and GeO2 polymorphs by first-principles calculations.

Abstract

The recent discovery that molecular CO(2) transforms under compression into carbon four-coordinated, 3-dimensional network solid phases has generated considerable interests on possible new phases in the fourth-main-group elemental oxides. Based on density-functional theory calculations, we have investigated the thermodynamic stability, mechanical properties… (More)
DOI: 10.1063/1.4735077

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@article{Ledyastuti2012ComparisonOT, title={Comparison of thermodynamic stabilities and mechanical properties of CO2, SiO2, and GeO2 polymorphs by first-principles calculations.}, author={Mia Ledyastuti and Yunfeng Liang and Caetano R. Miranda and Toshifumi Matsuoka}, journal={The Journal of chemical physics}, year={2012}, volume={137 3}, pages={034703} }