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Unraveling the MnMoO<sub>4</sub> polymorphism: a comprehensive DFT investigation of α, β, and ω phases.
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- Journal of Materials Science, 2022, v. 57, n. 22, p. 10179, doi. 10.1007/s10853-022-07277-7
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Theoretical investigation on the surface and morphological properties of lead nickelate multiferroics: vacancy dependency.
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- Journal of Materials Science, 2020, v. 55, n. 16, p. 6875, doi. 10.1007/s10853-020-04526-5
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- Article
Isomorphic substitution and intermediary energy levels: A new application of DFT modelling and semiconductor theory to describe p–n type junctions interface in heterostructures.
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- Physica Status Solidi (B), 2017, v. 254, n. 10, p. 1, doi. 10.1002/pssb.201700119
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- Article
A broad theoretical investigation of R‐3, R3c, and R‐3c polymorphs of FeCrO<sub>3</sub>.
- Published in:
- Journal of the American Ceramic Society, 2020, v. 103, n. 10, p. 5688, doi. 10.1111/jace.17276
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- Article