Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators
This paper presented a theoretical study of structural, electronic, and optical properties of the ternary mixed chalcogenides Topological Insulators with a formula M2X2Y (M = Bi, X = Te and Y= Se, S) using density functional theory (DFT) within the local density approximation (LDA). From the calcula...
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| Format: | Article |
| Language: | English |
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Trans Tech Publications
2016
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| Online Access: | http://psasir.upm.edu.my/id/eprint/55438/1/Density%20functional%20study%20of%20electronic%20and%20optical%20properties%20of%20ternary%20mixed%20chalcogenides%20topological%20insulators.pdf |
| _version_ | 1825931219019235328 |
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| author | Shuaibu, Alhassan Rahman, Md. Mahmudur Zainuddin, Hishamuddin Talib, Zainal Abidin |
| author_facet | Shuaibu, Alhassan Rahman, Md. Mahmudur Zainuddin, Hishamuddin Talib, Zainal Abidin |
| author_sort | Shuaibu, Alhassan |
| collection | UPM |
| description | This paper presented a theoretical study of structural, electronic, and optical properties of the ternary mixed chalcogenides Topological Insulators with a formula M2X2Y (M = Bi, X = Te and Y= Se, S) using density functional theory (DFT) within the local density approximation (LDA). From the calculation, we have evaluated the bulk modulus and its corresponding pressure derivatives of these compounds. The linear photon-energy dependent of dielectric functions, some optical properties such as reflectivity, refraction index, conductivity function, and energy-loss spectra, have also been obtained and analyzed within the electronic band structures and density of states of these compounds.
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| first_indexed | 2024-03-06T09:23:25Z |
| format | Article |
| id | upm.eprints-55438 |
| institution | Universiti Putra Malaysia |
| language | English |
| last_indexed | 2024-03-06T09:23:25Z |
| publishDate | 2016 |
| publisher | Trans Tech Publications |
| record_format | dspace |
| spelling | upm.eprints-554382017-09-14T10:04:55Z http://psasir.upm.edu.my/id/eprint/55438/ Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators Shuaibu, Alhassan Rahman, Md. Mahmudur Zainuddin, Hishamuddin Talib, Zainal Abidin This paper presented a theoretical study of structural, electronic, and optical properties of the ternary mixed chalcogenides Topological Insulators with a formula M2X2Y (M = Bi, X = Te and Y= Se, S) using density functional theory (DFT) within the local density approximation (LDA). From the calculation, we have evaluated the bulk modulus and its corresponding pressure derivatives of these compounds. The linear photon-energy dependent of dielectric functions, some optical properties such as reflectivity, refraction index, conductivity function, and energy-loss spectra, have also been obtained and analyzed within the electronic band structures and density of states of these compounds. Trans Tech Publications 2016 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/55438/1/Density%20functional%20study%20of%20electronic%20and%20optical%20properties%20of%20ternary%20mixed%20chalcogenides%20topological%20insulators.pdf Shuaibu, Alhassan and Rahman, Md. Mahmudur and Zainuddin, Hishamuddin and Talib, Zainal Abidin (2016) Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators. Materials Science Forum, 846 (3). pp. 599-606. ISSN 0255-5476; ESSN: 1662-9752 10.4028/www.scientific.net/MSF.846.599 |
| spellingShingle | Shuaibu, Alhassan Rahman, Md. Mahmudur Zainuddin, Hishamuddin Talib, Zainal Abidin Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| title | Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| title_full | Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| title_fullStr | Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| title_full_unstemmed | Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| title_short | Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| title_sort | density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators |
| url | http://psasir.upm.edu.my/id/eprint/55438/1/Density%20functional%20study%20of%20electronic%20and%20optical%20properties%20of%20ternary%20mixed%20chalcogenides%20topological%20insulators.pdf |
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