FIRST-PRINCIPLES STUDY OF ELECTRONIC AND STRUCTURAL PROPERTIES AND EXAMINING THE EFFECT OF PRESSURE ON ENERGY GAP IN INN PHASES

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ABOLHASSANI M.R.; BOUCHANI A.; ARABI H.; AHMADIAN F.

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Journal: JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL) Year:2007 | Volume:1 | Issue:3 Page(s): 39-45

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Title

FIRST-PRINCIPLES STUDY OF ELECTRONIC AND STRUCTURAL PROPERTIES AND EXAMINING THE EFFECT OF PRESSURE ON ENERGY GAP IN INN PHASES

Author(s)

ABOLHASSANI M.R. | BOUCHANI A. | ARABI H. | AHMADIAN F. | Issue Writer Certificate

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Abstract

The electronic and structural properties of both zinc-blende and wurtzite phases of InN were investigated by using full potential linearized augmented plane wave method within density functional theory. For the exchange correlation potential, generalized gradient approximation (PBE-GGA) and an alternative form of GGA proposed by Engel and Vosko (EV-GGA) have been used. Results obtained for band structure of these compounds have been compared with experimental results as well as other first principle computations. Our results show a significant improvement over other theoretical work and are closer to experimental data. The lattice constants, bulk modulus and its pressure derivative are calculated for both phases. We have also investigated the structural transitions of InN and have calculated the transition pressure between zinc-blende and rocksalt phases.

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APA: Copy

ABOLHASSANI, M.R., BOUCHANI, A., ARABI, H., & AHMADIAN, F.. (2007). FIRST-PRINCIPLES STUDY OF ELECTRONIC AND STRUCTURAL PROPERTIES AND EXAMINING THE EFFECT OF PRESSURE ON ENERGY GAP IN INN PHASES. JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL), 1(3), 39-45. SID. https://sid.ir/paper/318647/en

Vancouver: Copy

ABOLHASSANI M.R., BOUCHANI A., ARABI H., AHMADIAN F.. FIRST-PRINCIPLES STUDY OF ELECTRONIC AND STRUCTURAL PROPERTIES AND EXAMINING THE EFFECT OF PRESSURE ON ENERGY GAP IN INN PHASES. JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL)[Internet]. 2007;1(3):39-45. Available from: https://sid.ir/paper/318647/en

IEEE: Copy

M.R. ABOLHASSANI, A. BOUCHANI, H. ARABI, and F. AHMADIAN, “FIRST-PRINCIPLES STUDY OF ELECTRONIC AND STRUCTURAL PROPERTIES AND EXAMINING THE EFFECT OF PRESSURE ON ENERGY GAP IN INN PHASES,” JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL), vol. 1, no. 3, pp. 39–45, 2007, [Online]. Available: https://sid.ir/paper/318647/en

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