Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite

Kibalin, I.; Voufack, A.B.; Souhassou, M.; Gillon, B.; Gillet, J.-M.; Claiser, N.; Gukasov, A.; Porcher, F.; Lecomte, C.

doi:10.1107/S205327332001637X

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 7
Static charge deformation density on the yttrium atom in the (010) plane. Contour level is 0.05 e Å⁻³. Red contours are negative, blue contours are positive, dotted green is zero.

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 77| Part 2| March 2021| Pages 96-104

https://doi.org/10.1107/S205327332001637X

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