The effects of thermal treatment on the physical properties of Sr2FeMo1−xMxO6 perovskite with M=W, Ta and x≤0.3

Burzo, E.; Balasz, I.; Văleanu, M.; Pop, I.

doi:10.1016/j.jallcom.2010.08.126

Cited by 25 publications

(18 citation statements)

References 34 publications

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“…We note that the same types of dependences for a and b parameters were evidenced in double perovskites based on Sr 2 FeMoO 6 [41,44]. In these perovskites the a values are very close to those determined in the present system, while the b ones are by ffi5 times smaller.…”

Section: Resistive Propertiessupporting

confidence: 85%

Physical properties of La1−xPbxMnO3 perovskites with 0.24≤x≤0.40

Burzo

Balasz

Isobe

et al. 2012

Journal of Alloys and Compounds

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Section: Resistive Propertiessupporting

confidence: 85%

Physical properties of La1−xPbxMnO3 perovskites with 0.24≤x≤0.40

Burzo

Balasz

Isobe

et al. 2012

Journal of Alloys and Compounds

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“…These perovskite oxides have become more and more important and are a key material in developing oxide based electronic devices since they show some important properties such as high dielectric constant, ferroelectric polarization, catalysis and magnetic media [3][4]. Investigation of double perovskite type compounds in the areas of fuel cells is very essential since these materials are a promising anode material for the solid state fuel cells which are anticipated for operation at moderate temperature [5][6].…”

Section: Introductionmentioning

confidence: 99%

Electronic structure, structural phase stability, optical and thermoelectric properties of Sr2AlM'O6 (M' = Nb and Ta) from first principle calculations

Rameshe

Rajagopalan

Palanivel

2015

Computational Condensed Matter

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Please cite this article as: B. Rameshe, M. Rajagopalan, B. Palanivel, Electronic structure, structural phase stability, optical and thermoelectric properties of Sr 2 AlM'O 6 (M'=Nb and Ta) from first principle calculations, Computational Condensed Matter (2015), Abstract First principle calculations are performed to investigate the electronic structure, structural phase stability, optical properties and thermoelectric properties of double perovskite oxide semiconductors namely Sr 2 AlM'O 6 (M'= Nb and Ta) in the cubic symmetry using WIEN2k. In order to study the ground state properties of these compounds, the total energies are calculated as a function of reduced volumes and fitted with Brich Murnaghan equation. The estimated ground state parameters are comparable with the available experimental data. Calculations of electronic band structure on these compounds have been carried out using generalized gradient approximations and modified Becke-Johanson potential (TB-mBJ). The calculated band gap for Sr 2 AlNbO 6 and Sr 2 AlTaO 6 with GGA and TB-mBJ reveal that these compounds exhibit semiconducting behavior with a direct band gap. To explore the optical transitions in these compounds, the real and imaginary parts of the dielectric function, refractive index, extinction coefficient, reflectivity, optical absorption coefficient, real part of optical conductivity and the energy-loss function are calculated at ambient conditions and analyzed both with GGA and TB-mBJ potentials. Investigations of the thermoelectric properties of these compounds have been carried out by the calculations of transport coefficients based on Boltzmann transport theory in order to analyze the variation of Seebeck's coefficient at different temperatures for various carrier concentrations based on the electronic structure near the valence band maxima.

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“…They occupy either the site exactly between Mo and Fe, which gives the body centered tetragonal structure type (I4/mmm; No. 139 [36]). The colored polyhedra visualize the octahedral surroundings of the Fe and Mo atoms (orange and blue).…”

Section: Numerical Detailsmentioning

confidence: 99%

Variation of magnetic properties of Sr₂FeMoO₆ due to oxygen vacancies

Hoffmann

Antonov

Bekenov

et al. 2018

J. Phys.: Condens. Matter

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Oxygen vacancies can be of utmost importance for improving or deteriorating physical properties of oxide materials. Here, we studied from first-principles the electronic and magnetic properties of oxygen vacancies in the double perovskite SrFeMoO (SFMO). We show that oxygen vacancies can increase the Curie temperature in SFMO, although the total magnetic moment is reduced at the same time. We found also that the experimentally observed valence change of the Fe ions from 3+ to 2+ in the x-ray magnetic circular dichroism (XMCD) measurements is better explained by oxygen vacancies than by the assumed mixed valence state. The agreement of the calculated x-ray absorption spectra and XMCD results with experimental data is considerably improved by inclusion of oxygen vacancies.

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The effects of thermal treatment on the physical properties of Sr2FeMo1−xMxO6 perovskite with M=W, Ta and x≤0.3

Cited by 25 publications

References 34 publications

Physical properties of La1−xPbxMnO3 perovskites with 0.24≤x≤0.40

Physical properties of La1−xPbxMnO3 perovskites with 0.24≤x≤0.40

Electronic structure, structural phase stability, optical and thermoelectric properties of Sr2AlM'O6 (M' = Nb and Ta) from first principle calculations

Variation of magnetic properties of Sr₂FeMoO₆ due to oxygen vacancies

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The effects of thermal treatment on the physical properties of Sr2FeMo1−xMxO6 perovskite with M=W, Ta and x≤0.3

Cited by 25 publications

References 34 publications

Physical properties of La1−xPbxMnO3 perovskites with 0.24≤x≤0.40

Physical properties of La1−xPbxMnO3 perovskites with 0.24≤x≤0.40

Electronic structure, structural phase stability, optical and thermoelectric properties of Sr2AlM'O6 (M' = Nb and Ta) from first principle calculations

Variation of magnetic properties of Sr2FeMoO6 due to oxygen vacancies

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Variation of magnetic properties of Sr₂FeMoO₆ due to oxygen vacancies