Exploring Electronic, Structural, Optical, and Elastic Properties of Mgx2o6 (X = Ta, Nb) Compounds for Photovoltaic and Optoelectronic Applications: First Study Effort
| dc.authorid | Aycibin, Murat/0000-0002-2634-3082 | |
| dc.authorscopusid | 16318466500 | |
| dc.authorscopusid | 59225088900 | |
| dc.authorscopusid | 57201999264 | |
| dc.authorscopusid | 55921648100 | |
| dc.authorwosid | Erzen, Mehmet/Mbh-3331-2025 | |
| dc.authorwosid | Aycibin, Murat/Aaa-4462-2019 | |
| dc.contributor.author | Aycibin, Murat | |
| dc.contributor.author | Celebi, Mustafa | |
| dc.contributor.author | Erzen, Mehmet | |
| dc.contributor.author | Akkus, Harun | |
| dc.date.accessioned | 2025-05-10T17:23:08Z | |
| dc.date.available | 2025-05-10T17:23:08Z | |
| dc.date.issued | 2024 | |
| dc.department | T.C. Van Yüzüncü Yıl Üniversitesi | en_US |
| dc.department-temp | [Aycibin, Murat; Celebi, Mustafa; Erzen, Mehmet; Akkus, Harun] Van Yuzuncu Yil Univ, Fac Sci, Dept Phys, Van, Turkiye; [Celebi, Mustafa; Erzen, Mehmet] Univ Van Yuzuncu Yil, Inst Nat & Appl Sci, Dept Phys, TR-65080 Van, Turkiye; [Aycibin, Murat] Mersin Univ, Vocat Sch Tech Sci, Dept Med Serv & Tech, TR-33334 Mersin, Turkiye | en_US |
| dc.description | Aycibin, Murat/0000-0002-2634-3082 | en_US |
| dc.description.abstract | In this study, the structural, optical, and elastic properties of tetragonal MgTa2O6 and orthorhombic MgNb2O6 were determined using the Wien2k and ABINIT computational programs with the aid of density functional theory. The results imply that both compounds are classified as wide band gap semiconductor with 4.143 eV (for MgTa2O6) and 3.653 eV (for MgNb2O6) with PBEsol-GGA + TB-mBJ approximation. The findings of bulk modulus, shear modulus, Young modulus, Poisson's ratio, and anisotropy factors were determined and discussed in detail. The ductile behavior and the mechanism of structural stability were also explained. | en_US |
| dc.description.sponsorship | Scientific and Technological Research Council of Turkiye (TUBITAK) | en_US |
| dc.description.sponsorship | Open access funding provided by the Scientific and Technological Research Council of Turkiye (TUBITAK). | en_US |
| dc.description.woscitationindex | Science Citation Index Expanded | |
| dc.identifier.doi | 10.1007/s12648-024-03147-x | |
| dc.identifier.endpage | 3582 | en_US |
| dc.identifier.issn | 0973-1458 | |
| dc.identifier.issn | 0974-9845 | |
| dc.identifier.issue | 10 | en_US |
| dc.identifier.scopus | 2-s2.0-85199000488 | |
| dc.identifier.scopusquality | Q2 | |
| dc.identifier.startpage | 3571 | en_US |
| dc.identifier.uri | https://doi.org/10.1007/s12648-024-03147-x | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14720/10798 | |
| dc.identifier.volume | 98 | en_US |
| dc.identifier.wos | WOS:001272648600002 | |
| dc.identifier.wosquality | N/A | |
| dc.language.iso | en | en_US |
| dc.publisher | indian Assoc Cultivation Science | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Ab(2)O(6) | en_US |
| dc.subject | Density Functional Theory | en_US |
| dc.subject | Elastic Properties | en_US |
| dc.subject | Direct Transition | en_US |
| dc.subject | Optical Anisotropy | en_US |
| dc.title | Exploring Electronic, Structural, Optical, and Elastic Properties of Mgx2o6 (X = Ta, Nb) Compounds for Photovoltaic and Optoelectronic Applications: First Study Effort | en_US |
| dc.type | Article | en_US |