Thomas Angsten
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View article: Charting the complete elastic properties of inorganic crystalline compounds
Charting the complete elastic properties of inorganic crystalline compounds Open
The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the mate…
View article: Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain
Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain Open
Recent experimental and computational studies have demonstrated pressure and epitaxial stabilization of polar PbVO3 phases with perovskite-derivative crystal structures. In this study, we demonstrate, by density functional theory (DFT) cal…
View article: Elastic Tensor Data
Elastic Tensor Data Open
Dataset for prediction of material elastic tensors. Available as Monty Encoder encoded JSON and as CSV. Recommended access method is with the matminer Python package using the datasets module.Note on citations: If you found this dataset us…
View article: Elastic Tensor Data
Elastic Tensor Data Open
Dataset for prediction of material elastic tensors.Note on citations: If you found this dataset useful and would like to cite it in your work, please be sure to cite its original sources below rather than or in addition to this page.Datase…
View article: Elastic Tensor Data
Elastic Tensor Data Open
Dataset for prediction of material elastic tensors. Available as Monty Encoder encoded JSON and as CSV. Recommended access method is with the matminer Python package using the datasets module.Note on citations: If you found this dataset us…
View article: Orientation-dependent properties of epitaxially strained perovskite oxide thin films: Insights from first-principles calculations
Orientation-dependent properties of epitaxially strained perovskite oxide thin films: Insights from first-principles calculations Open
The structural properties, energetics, and polarizations of perovskite-based thin-film oxide systems are computed as a function of biaxial strain state and epitaxial orientation, employing an automated computational workflow based on densi…