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Grau-Crespo, Ricardo, Corà, Furio, Sokol, Alexey A., de Leeuw, Nora H., Catlow, C. Richard A. (2006) Electronic structure and magnetic coupling inFeSbO4: A DFT study using hybrid functionals andGGA+Umethods. Physical Review B, 73 (3) doi:10.1103/physrevb.73.035116

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Reference TypeJournal (article/letter/editorial)
TitleElectronic structure and magnetic coupling inFeSbO4: A DFT study using hybrid functionals andGGA+Umethods
JournalPhysical Review B
AuthorsGrau-Crespo, RicardoAuthor
Corà, FurioAuthor
Sokol, Alexey A.Author
de Leeuw, Nora H.Author
Catlow, C. Richard A.Author
Year2006 (January 11)Volume73
Issue3
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.73.035116Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14184466Long-form Identifiermindat:1:5:14184466:6
GUID0
Full ReferenceGrau-Crespo, Ricardo, Corà, Furio, Sokol, Alexey A., de Leeuw, Nora H., Catlow, C. Richard A. (2006) Electronic structure and magnetic coupling inFeSbO4: A DFT study using hybrid functionals andGGA+Umethods. Physical Review B, 73 (3) doi:10.1103/physrevb.73.035116
Plain TextGrau-Crespo, Ricardo, Corà, Furio, Sokol, Alexey A., de Leeuw, Nora H., Catlow, C. Richard A. (2006) Electronic structure and magnetic coupling inFeSbO4: A DFT study using hybrid functionals andGGA+Umethods. Physical Review B, 73 (3) doi:10.1103/physrevb.73.035116
In(2006, January) Physical Review B Vol. 73 (3) American Physical Society (APS)

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Grau-Crespo, Ricardo, de Leeuw, Nora H., Catlow, C. Richard A. (2003) Cation distribution and magnetic ordering in FeSbO4. Journal of Materials Chemistry, 13. 2848pp. doi:10.1039/b309796j
Grau-Crespo, Ricardo, de Leeuw, Nora H., Catlow, C. Richard A. (2004) Distribution of Cations in FeSbO4: A Computer Modeling Study. Chemistry of Materials, 16. 1954-1960 doi:10.1021/cm035271y
Mellan, Thomas A., Corà, Furio, Grau-Crespo, Ricardo, Ismail-Beigi, Sohrab (2015) Importance of anisotropic Coulomb interaction inLaMnO3. Physical Review B, 92 (8) doi:10.1103/physrevb.92.085151
Devey, A. J., Grau-Crespo, R., de Leeuw, N. H. (2009) Electronic and magnetic structure ofFe3S4:GGA+Uinvestigation. Physical Review B, 79 (19) doi:10.1103/physrevb.79.195126
Santos-Carballal, David, Roldan, Alberto, Grau-Crespo, Ricardo, de Leeuw, Nora H. (2015) First-principles study of the inversion thermodynamics and electronic structure ofFeM2X4(thio)spinels (M=Cr, Mn, Co, Ni;X=O, S) Physical Review B, 91 (19) doi:10.1103/physrevb.91.195106
Grau-Crespo, Ricardo, Moreira, Ib?rio de P. R., Illas, Francesc, de Leeuw, Nora H., Catlow, C. Richard A. (2006) The effect of cation coordination on the properties of oxygen vacancies in FeSbO4. Journal of Materials Chemistry, 16. 1943pp. doi:10.1039/b518219k
Hernández, Norge C., Grau-Crespo, Ricardo, de Leeuw, Nora H., Sanz, Javier Fdez. (2009) Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation. Physical Chemistry Chemical Physics, 11 (26). 5246pp. doi:10.1039/b820373c
Königstein, Markus, Sokol, Alexei A., Catlow, C. Richard A. (1999) Electronic structure and bonding in crystalline peroxides. Physical Review B, 60 (7) 4594-4604 doi:10.1103/physrevb.60.4594
Almora-Barrios, Neyvis, Grau-Crespo, Ricardo, Leeuw, Nora H. de (2013) A Computational Study of Magnesium Incorporation in the Bulk and Surfaces of Hydroxyapatite. Langmuir, 29. 5851-5856 doi:10.1021/la400422d
Chauke, Hasani R., Murovhi, Phathutshedzo, Ngoepe, Phuti E., de Leeuw, Nora H., Grau-Crespo, Ricardo (2010) Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface. The Journal of Physical Chemistry C, 114 (36). 15403-15409 doi:10.1021/jp103181q
Wang, Qi, Grau-Crespo, Ricardo, de Leeuw, Nora H. (2011) Mixing Thermodynamics of the Calcite-Structured (Mn,Ca)CO3Solid Solution: A Computer Simulation Study. The Journal of Physical Chemistry B, 115 (47). 13854-13861 doi:10.1021/jp200378q
 
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