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Al-Abdalla, Abdalla, Barandiarán, Zoila, Seijo, Luis, Lindh, Roland (1998) Ab initiomodel potential embedded-cluster study of the ground and lowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 and Cs2NaYBr6. The Journal of Chemical Physics, 108 (5). 2005-2014 doi:10.1063/1.475610

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Reference TypeJournal (article/letter/editorial)
TitleAb initiomodel potential embedded-cluster study of the ground and lowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 and Cs2NaYBr6
JournalThe Journal of Chemical Physics
AuthorsAl-Abdalla, AbdallaAuthor
Barandiarán, ZoilaAuthor
Seijo, LuisAuthor
Lindh, RolandAuthor
Year1998 (February)Volume108
Issue5
PublisherAIP Publishing
DOIdoi:10.1063/1.475610Search in ResearchGate
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Mindat Ref. ID2238304Long-form Identifiermindat:1:5:2238304:2
GUID0
Full ReferenceAl-Abdalla, Abdalla, Barandiarán, Zoila, Seijo, Luis, Lindh, Roland (1998) Ab initiomodel potential embedded-cluster study of the ground and lowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 and Cs2NaYBr6. The Journal of Chemical Physics, 108 (5). 2005-2014 doi:10.1063/1.475610
Plain TextAl-Abdalla, Abdalla, Barandiarán, Zoila, Seijo, Luis, Lindh, Roland (1998) Ab initiomodel potential embedded-cluster study of the ground and lowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 and Cs2NaYBr6. The Journal of Chemical Physics, 108 (5). 2005-2014 doi:10.1063/1.475610
In(1998, February) The Journal of Chemical Physics Vol. 108 (5) AIP Publishing

See Also

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Al-Abdalla, Abdalla, Seijo, Luis, Barandiarán, Zoila (1998) Ab initio model potential embedded cluster study of the structure and spectroscopy of V3+-doped elpasolites K2NaScF6, Cs2NaYCl6 and Cs2NaYBr6. Journal of Molecular Structure: THEOCHEM, 451. 135-142 doi:10.1016/s0166-1280(98)00166-3
Al-Abdalla, Abdalla, Seijo, Luis, Barandiarán, Zoila (1998) A new interpretation of the bonding and spectroscopy of the tetraoxoferrate(VI) FeO42− ion. The Journal of Chemical Physics, 109 (15). 6396-6405 doi:10.1063/1.477283
Seijo, Luis, Barandiarán, Zoila (1991) Ab initio model potential study of local distortions around Cr+ and Cr3+ defects in fluorite. The Journal of Chemical Physics, 94 (12). 8158-8164 doi:10.1063/1.460098
López-Moraza, Sara, Seijo, Luis, Barandiarán, Zoila (1998) Multiple-excited-state absorption ofV2+in low-field crystals: Anab initiomodel-potential embedded-cluster study. Physical Review B, 57 (19) 11974-11979 doi:10.1103/physrevb.57.11974
Seijo, Luis, Barandiarán, Zoila (2003) High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. Anab initioembedded cluster study. The Journal of Chemical Physics, 118 (4). 1921-1928 doi:10.1063/1.1531659
Seijo, Luis, Barandiarán, Zoila, Pettersson, Lars G. M. (1993) Ab initio model potential study of pressure effects on K2NaGaF6:Cr3+. The Journal of Chemical Physics, 98 (5). 4041-4046 doi:10.1063/1.464034
Pascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1996) Ab initiomodel-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies ofCr2+in oxide and fluoride octahedral coordination. Physical Review B, 53 (3) 1138-1145 doi:10.1103/physrevb.53.1138
Seijo, Luis, Barandiarán, Zoila (2003) Ab initio theoretical studies on U3+ and on the structure and spectroscopy of U3+ substitutional defects in Cs2NaYCl6, 5f 26d1 manifold. The Journal of Chemical Physics, 118 (12). 5335-5346 doi:10.1063/1.1555120
Seijo, Luis, Barandiarán, Zoila (2001) Structure and spectroscopy of Pa4+ defects in Cs2ZrCl6. An ab initio theoretical study. The Journal of Chemical Physics, 115 (12). 5554-5560 doi:10.1063/1.1398092
Ruipérez, Fernando, Barandiarán, Zoila, Seijo, Luis (2005) Quantum chemical study of 4f→5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+. The Journal of Chemical Physics, 123 (24). 244703pp. doi:10.1063/1.2137689
Pascual, José Luis, Seijo, Luis, Barandiarán, Zoila (1995) Ab initio model potential study of the optical absorption spectrum of Mn2+‐doped CaF2. The Journal of Chemical Physics, 103 (12). 4841-4846 doi:10.1063/1.470619
 
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