ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE

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SALEHI H.; ARYADOUST M.; FARBOD M.

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ISSN: 2588-4824

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Journal: IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE Year:2010 | Volume:34 | Issue:A2 Page(s): 131-138

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Title

ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE

Author(s)

SALEHI H. | ARYADOUST M. | FARBOD M. | Issue Writer Certificate

Keywords

LATTICE CONSTANT

BULK MODULE

CERAMIC SNO2

ELECTRONIC STRUCTURE

ELECTRONIC DENSITY DISTRIBUTION

Abstract

The ELECTRONIC STRUCTURE, energy band structure and electronic density of SnO2 ceramic in cubic phase have been investigated using first principle full potential-linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). Local density approximation (LDA) and the generalized gradient approximation (GGA), which are based on exchange- correlation energy optimization were used. The band gap was 2.2 eV at Γ point in the Brillouin zone within our approach. Calculations of the band structure and ELECTRONIC STRUCTURE of SnO2 were in a good agreement with the previous experimental and theoretical results with different approximations. Moreover, electronic density map shows that the bonding between Sn and O atoms is ionic.

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APA: Copy

SALEHI, H., ARYADOUST, M., & FARBOD, M.. (2010). ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE. IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE, 34(A2), 131-138. SID. https://sid.ir/paper/574481/en

Vancouver: Copy

SALEHI H., ARYADOUST M., FARBOD M.. ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE. IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE[Internet]. 2010;34(A2):131-138. Available from: https://sid.ir/paper/574481/en

IEEE: Copy

H. SALEHI, M. ARYADOUST, and M. FARBOD, “ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE,” IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE, vol. 34, no. A2, pp. 131–138, 2010, [Online]. Available: https://sid.ir/paper/574481/en

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