Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory
We present a review on the research developments on the theoretical electronic properties of the antiperovskite materials. The antiperovskite materials have perovskite type structure with the positions of cations and anions interchanged. The electronic structures are used to explain different physic...
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| Format: | Article |
| Language: | English |
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Wiley
2015-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2015/495131 |
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| author | M. Bilal S. Jalali-Asadabadi Rashid Ahmad Iftikhar Ahmad |
| author_facet | M. Bilal S. Jalali-Asadabadi Rashid Ahmad Iftikhar Ahmad |
| author_sort | M. Bilal |
| collection | DOAJ |
| description | We present a review on the research developments on the theoretical electronic properties of the
antiperovskite materials. The antiperovskite materials have perovskite type structure with the
positions of cations and anions interchanged. The electronic structures are used to explain
different physical properties of materials; therefore it is crucial to understand band structures and
densities of states of materials for their effective use in technology. The theoretical results of the
electronic structure of antiperovskites were discussed and compared with the available
experimental results to measure the accuracy of the research done so far on these materials. The
important physical properties of these compounds like magnetic properties and superconductivity
are also highlighted. Nevertheless the thermoelectric properties of these materials are still unexplored
except for a few reports which suggest that antiperovskite materials may be potential candidates for
thermoelectric generators. |
| format | Article |
| id | doaj-art-fbbcdf00b5964dd7883480d7df00f25d |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-fbbcdf00b5964dd7883480d7df00f25d2025-02-03T01:07:29ZengWileyJournal of Chemistry2090-90632090-90712015-01-01201510.1155/2015/495131495131Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional TheoryM. Bilal0S. Jalali-Asadabadi1Rashid Ahmad2Iftikhar Ahmad3Center for Computational Materials Science, University of Malakand, Chakdara, PakistanDepartment of Physics, Faculty of Science, University of Isfahan (UI), Hezar Gerib Avenue, Isfahan 81746-73441, IranDepartment of Chemistry, University of Malakand, Chakdara, PakistanCenter for Computational Materials Science, University of Malakand, Chakdara, PakistanWe present a review on the research developments on the theoretical electronic properties of the antiperovskite materials. The antiperovskite materials have perovskite type structure with the positions of cations and anions interchanged. The electronic structures are used to explain different physical properties of materials; therefore it is crucial to understand band structures and densities of states of materials for their effective use in technology. The theoretical results of the electronic structure of antiperovskites were discussed and compared with the available experimental results to measure the accuracy of the research done so far on these materials. The important physical properties of these compounds like magnetic properties and superconductivity are also highlighted. Nevertheless the thermoelectric properties of these materials are still unexplored except for a few reports which suggest that antiperovskite materials may be potential candidates for thermoelectric generators.http://dx.doi.org/10.1155/2015/495131 |
| spellingShingle | M. Bilal S. Jalali-Asadabadi Rashid Ahmad Iftikhar Ahmad Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory Journal of Chemistry |
| title | Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory |
| title_full | Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory |
| title_fullStr | Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory |
| title_full_unstemmed | Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory |
| title_short | Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory |
| title_sort | electronic properties of antiperovskite materials from state of the art density functional theory |
| url | http://dx.doi.org/10.1155/2015/495131 |
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