CALCULATION OF ELECTRONIC STRUCTURE AND DENSITY OF STATE FOR BATIO3

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SALEHI H.; HOSSEINI SEYED MOHAMMAD

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Journal: Iranian Journal of Physics Research Year:2003 | Volume:3 | Issue:3 Page(s): 169-175

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Information Journal Paper

Title

CALCULATION OF ELECTRONIC STRUCTURE AND DENSITY OF STATE FOR BATIO3

Author(s)

SALEHI H. | HOSSEINI SEYED MOHAMMAD | Issue Writer Certificate

Keywords

ELECTRONIC STRUCTUREQ3

BATIO3Q4

FP-LAPWQ4

DENSITY OF STATEQ2

GGAQ4

DFTQ4

Abstract

The ELECTRONIC STRUCTURE, DENSITY OF STATE (DOS) and electronic DENSITY OF STATE in paraelectric cubic crystal BATIO3 are studied using full potential-linearized augmented plane wave (FP-LAPW) method in the framework of the density functional theory (DFT) with the generalized gradient approximation (GGA) by the WIEN2K package. The results show a direct band gap of 1.8 eV at the r point in the Brillouin zone. The calculated band structure and DENSITY OF STATE of BATIO3 are in good agreement with theoretical and experimental results.

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APA: Copy

SALEHI, H., HOSSEINI, SEYED MOHAMMAD,. (2003). CALCULATION OF ELECTRONIC STRUCTURE AND DENSITY OF STATE FOR BATIO3. IRANIAN JOURNAL OF PHYSICS RESEARCH, 3(3), 169-175. SID. https://sid.ir/paper/1744/en

Vancouver: Copy

SALEHI H., HOSSEINI SEYED MOHAMMAD. CALCULATION OF ELECTRONIC STRUCTURE AND DENSITY OF STATE FOR BATIO3. IRANIAN JOURNAL OF PHYSICS RESEARCH[Internet]. 2003;3(3):169-175. Available from: https://sid.ir/paper/1744/en

IEEE: Copy

H. SALEHI, SEYED MOHAMMAD HOSSEINI, an, “CALCULATION OF ELECTRONIC STRUCTURE AND DENSITY OF STATE FOR BATIO3,” IRANIAN JOURNAL OF PHYSICS RESEARCH, vol. 3, no. 3, pp. 169–175, 2003, [Online]. Available: https://sid.ir/paper/1744/en

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