Lattice constant of cubic perovskites

Verma, Ajay Singh; Jindal, V. K.

doi:10.1016/j.jallcom.2009.06.001

Cited by 158 publications

(74 citation statements)

References 24 publications

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“…These results are in good agreement with experiments. 14,15 The energy gaps of CHO calculated by the LDA and GGA are 3.08 eV and 3.10 eV, respectively, which also agrees well with previous reports. 16 For STO, the LDA and GGA band gaps are 1.85 eV and 1.89 eV, respectively.…”

supporting

confidence: 91%

Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

Nazir

Pulikkotil

Singh

et al. 2011

Applied Physics Letters

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supporting

confidence: 91%

Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

Nazir

Pulikkotil

Singh

et al. 2011

Applied Physics Letters

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“…Recently, several works [2][3][4][5][6] were published, which dealt with empirical modeling of the LC for the perovskite crystals. The linear relations between the value of a and several other variables (ionic radii, number of valence electrons, and electronegativity) in several different combinations were proposed and successfully tested.…”

Section: Introductionmentioning

confidence: 99%

Modeling of lattice constant and their relations with ionic radii and electronegativity of constituting ions of A2XY6 cubic crystals (A=K, Cs, Rb, Tl; X=tetravalent cation, Y=F, Cl, Br, I)

Brik

Kityk

2011

Journal of Physics and Chemistry of Solids

117

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Cite this article as: M.G. Brik and I.V. Kityk, Modeling of lattice constant and their relations with ionic radii and electronegativity of constituting ions of A 2 XY 6 cubic crystals (A = K, Cs, Rb, Tl; X = tetravalent cation, Y = F, Cl, Br, I), Journal of Physics and Chemistry of Solids, doi:10.1016Solids, doi:10. /j.jpcs.2011 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting galley proof before it is published in its final citable form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.

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“…A number of studies have previously attempted to provide empirical (or semi-empirical) expressions for the equivalent cubic unit cell parameter of perovskites by fitting experimental data for perovskite oxides and halides [19][20][21][22]. Nevertheless, our analysis differs from the previous in taking into account also anion sub-stoichiometry.…”

Section: Perovskitesmentioning

confidence: 99%

Size of oxide vacancies in fluorite and perovskite structured oxides

et al. 2014

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An analysis of the effective radii of vacancies and the stoichiometric expansion coefficient is performed on metal oxides with fluorite and perovskite structures. Using the hard sphere model with Shannon ion radii we find that the effective radius of the oxide vacancy in fluorites increases with increasing ion radius of the host cation and that it is significantly smaller than the radius of the oxide ion in all cases, from 37 % smaller for HfO 2 to 13 % smaller for ThO 2 . The perovskite structured LaGaO 3 doped with Sr or Mg or both is analyzed in some detail. The results show that the effective radius of an oxide vacancy in doped LaGaO 3 is only about 6 % smaller than the oxide ion. In spite of this the stoichiometric expansion coefficient (a kind of chemical expansion coefficient) of the similar perovskite, LaCrO 3 , is significantly smaller than the stoichiometric expansion coefficient of the fluorite structured CeO 2 . Our analysis results indicate that the smaller stoichiometric expansion coefficient of the perovskites is associated with the restraining action of the A-O sub-lattice to dimensional changes in the B-O sub-lattice and vice versa.

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Lattice constant of cubic perovskites

Cited by 158 publications

References 24 publications

Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

Modeling of lattice constant and their relations with ionic radii and electronegativity of constituting ions of A2XY6 cubic crystals (A=K, Cs, Rb, Tl; X=tetravalent cation, Y=F, Cl, Br, I)

Size of oxide vacancies in fluorite and perovskite structured oxides

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