Electronic properties of spin excitation in multiferroics with a spinel structure: first principles calculation
buir.contributor.author | Mamedov, Amirullah M. | |
buir.contributor.author | Özbay, Ekmel | |
buir.contributor.orcid | Özbay, Ekmel|0000-0003-2953-1828 | |
dc.citation.epage | 49 | en_US |
dc.citation.issueNumber | 1 | en_US |
dc.citation.spage | 41 | en_US |
dc.citation.volumeNumber | 539 | en_US |
dc.contributor.author | Koç, H. | en_US |
dc.contributor.author | Palaz, S. | en_US |
dc.contributor.author | Mamedov, Amirullah M. | en_US |
dc.contributor.author | Özbay, Ekmel | en_US |
dc.date.accessioned | 2020-02-20T12:44:26Z | |
dc.date.available | 2020-02-20T12:44:26Z | |
dc.date.issued | 2019-06-04 | |
dc.department | Department of Electrical and Electronics Engineering | en_US |
dc.department | Department of Physics | en_US |
dc.department | Institute of Materials Science and Nanotechnology (UNAM) | en_US |
dc.department | Nanotechnology Research Center (NANOTAM) | en_US |
dc.description.abstract | In the present work, the structural, electronic and mechanical properties of LiVCuO4 and LiCu2O4 spinel type multiferroics have been investigated by means of first principles calculations. The spin polarized generalized gradient approximation has been used for modeling exchange-correlation effects. The structural optimization of these multiferroics compounds has been performed by using VASP-code, and the lattice parameters and magnetic moments have been calculated. From our calculation, it has been determined that the LiVCuO4 compound is a narrow band gap semiconductor, while the LiCu2O4 compound is metallic in nature. Considering the spin states from the electronic band structure and density of the state (DOS) of the LiVCuO4 compound, it has been identified that Eg=1.87 eV for spin up and Eg=0.37 eV for spin down. The second-order elastic constants have been calculated, and the other related quantities have also been estimated in the present work. | en_US |
dc.description.provenance | Submitted by Evrim Ergin (eergin@bilkent.edu.tr) on 2020-02-20T12:44:26Z No. of bitstreams: 1 Electronic_properties_of_spin_excitation_in_multiferroics_with_a_spinel_structure_first_principles_calculation.pdf: 1395277 bytes, checksum: 5537ead54547cc52bbf414ba166991e5 (MD5) | en |
dc.description.provenance | Made available in DSpace on 2020-02-20T12:44:26Z (GMT). No. of bitstreams: 1 Electronic_properties_of_spin_excitation_in_multiferroics_with_a_spinel_structure_first_principles_calculation.pdf: 1395277 bytes, checksum: 5537ead54547cc52bbf414ba166991e5 (MD5) Previous issue date: 2019-06-04 | en |
dc.identifier.doi | 10.1080/00150193.2019.1570010 | en_US |
dc.identifier.eissn | 1563-5112 | |
dc.identifier.issn | 0015-0193 | |
dc.identifier.uri | http://hdl.handle.net/11693/53454 | |
dc.language.iso | English | en_US |
dc.publisher | Taylor & Francis | en_US |
dc.relation.isversionof | https://dx.doi.org/10.1080/00150193.2019.1570010 | en_US |
dc.source.title | Ferroelectrics | en_US |
dc.subject | Spinel type multiferroics | en_US |
dc.subject | Ab-initio calculations | en_US |
dc.subject | Mechanical properties | en_US |
dc.subject | Electronic properties | en_US |
dc.title | Electronic properties of spin excitation in multiferroics with a spinel structure: first principles calculation | en_US |
dc.type | Article | en_US |
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