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2017 | 131 | 3 | 406-413
Article title

Optoelectronic, Elastic and Thermal Properties of Cubic Perovskite-Type SrThO₃

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EN
Abstracts
EN
The electronic structure, elastic, thermal and optical properties of the cubic strontium thorate SrThO₃ are calculated using the full-potential linearized augmented plane wave method (FP-LAPW) based on the density functional theory with generalized gradient approximations GGA and local density approximation LDA. The modified Becke-Johnson potential (mBJ) is applied in electronic structure for calculating the energy gap. The obtained results are the Young modulus, shear modulus, the Poisson ratio, isotropic shear modulus, longitudinal, transverse and average sound velocities, the Zener anisotropy factor, the Kleinman parameter and the Debye temperature of the systems. All results are discussed and compared with the available experimental data.
Keywords
EN
Year
Volume
131
Issue
3
Pages
406-413
Physical description
Dates
published
2017-03
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv131n322kz
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