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First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin

In this first principle study of electronic structure on multiferroic materials, YMnO3and BiCr03 employed density functional theory (DFT). Computational techniques for calculations are performed via the Local Density Approximation (LDA). The calculated electronic structures were made in the high-sym...

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Main Author: Zainal Abidin, Siti Zafirah
Format: Student Project
Language:English
Published: 2010
Subjects:
Physical and theoretical chemistry
Analytical chemistry
Online Access:https://ir.uitm.edu.my/id/eprint/20365/1/20365.PDF
https://ir.uitm.edu.my/id/eprint/20365/
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spelling my.uitm.ir.203652023-01-04T08:24:36Z https://ir.uitm.edu.my/id/eprint/20365/ First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin Zainal Abidin, Siti Zafirah Physical and theoretical chemistry Analytical chemistry In this first principle study of electronic structure on multiferroic materials, YMnO3and BiCr03 employed density functional theory (DFT). Computational techniques for calculations are performed via the Local Density Approximation (LDA). The calculated electronic structures were made in the high-symmetry cubic perovskite structure. There two parts to be considered in calculating the electronic structures, which are density of state (DOS) and energy band structures. B-site of perovskite structure for YMn03 was influenced by Jahn-Teller effect as the results of crystal field splitting by oxygen anions. 2010-11 Student Project NonPeerReviewed text en https://ir.uitm.edu.my/id/eprint/20365/1/20365.PDF First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin. (2010) [Student Project] (Unpublished)
institution Universiti Teknologi Mara
building Tun Abdul Razak Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Mara
content_source UiTM Institutional Repository
url_provider http://ir.uitm.edu.my/
language English
topic Physical and theoretical chemistry
Analytical chemistry
spellingShingle Physical and theoretical chemistry
Analytical chemistry
Zainal Abidin, Siti Zafirah
First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin
description In this first principle study of electronic structure on multiferroic materials, YMnO3and BiCr03 employed density functional theory (DFT). Computational techniques for calculations are performed via the Local Density Approximation (LDA). The calculated electronic structures were made in the high-symmetry cubic perovskite structure. There two parts to be considered in calculating the electronic structures, which are density of state (DOS) and energy band structures. B-site of perovskite structure for YMn03 was influenced by Jahn-Teller effect as the results of crystal field splitting by oxygen anions.
format Student Project
author Zainal Abidin, Siti Zafirah
author_facet Zainal Abidin, Siti Zafirah
author_sort Zainal Abidin, Siti Zafirah
title First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin
title_short First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin
title_full First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin
title_fullStr First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin
title_full_unstemmed First principle study of electronic structures on multiferroic materials (YMnQ3, BiCr03) / Siti Zafirah Zainal Abidin
title_sort first principle study of electronic structures on multiferroic materials (ymnq3, bicr03) / siti zafirah zainal abidin
publishDate 2010
url https://ir.uitm.edu.my/id/eprint/20365/1/20365.PDF
https://ir.uitm.edu.my/id/eprint/20365/
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score 13.211869

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