Atomic Structure of Amorphous CDO from First Principles Simulations
| dc.contributor.author | Durandurdu, Murat | |
| dc.date.accessioned | 2025-09-25T10:41:18Z | |
| dc.date.available | 2025-09-25T10:41:18Z | |
| dc.date.issued | 2015 | |
| dc.description | Durandurdu, Murat/0000-0001-5636-3183; | en_US |
| dc.description.abstract | Amorphous CdO (a-CdO) is obtained by cooling the liquid at a sufficiently fast cooling rate using first-principles simulations. The topology of the amorphous model is examined using a variety of analyzing techniques. The local structural arrangement of a-CdO is found to be partially similar to that of crystalline phase. The model is chemically ordered but consists of a significant amount of coordination defects. a-CdO is predicted to be a semiconductor with a band gap energy less than the crystalline state. It is likely that a-CdO might serve as a novel electronic material. (C) 2015 Elsevier B.V. All rights reserved. | en_US |
| dc.description.sponsorship | TUBITAK (the Scientific and Technical Research Council of Turkey) under BIDEB-2232 program | en_US |
| dc.description.sponsorship | This work was supported by TUBITAK (the Scientific and Technical Research Council of Turkey) under BIDEB-2232 program. | en_US |
| dc.identifier.doi | 10.1016/j.jnoncrysol.2015.01.001 | |
| dc.identifier.issn | 0022-3093 | |
| dc.identifier.issn | 1873-4812 | |
| dc.identifier.scopus | 2-s2.0-84920860704 | |
| dc.identifier.uri | https://doi.org/10.1016/j.jnoncrysol.2015.01.001 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12573/3344 | |
| dc.language.iso | en | en_US |
| dc.publisher | Elsevier Science Bv | en_US |
| dc.relation.ispartof | Journal of Non-Crystalline Solids | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Amorphous | en_US |
| dc.subject | Ab Initio | en_US |
| dc.subject | Semiconductors | en_US |
| dc.subject | Molecular Dynamics | en_US |
| dc.title | Atomic Structure of Amorphous CDO from First Principles Simulations | en_US |
| dc.type | Article | en_US |
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| gdc.author.id | Durandurdu, Murat/0000-0001-5636-3183 | |
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| gdc.description.department | Abdullah Gül University | en_US |
| gdc.description.departmenttemp | Abdullah Gul Univ, Dept Mat Sci & Nanotechnol Engn, TR-38039 Kayseri, Turkey | en_US |
| gdc.description.endpage | 15 | en_US |
| gdc.description.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
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| gdc.description.startpage | 11 | en_US |
| gdc.description.volume | 412 | en_US |
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