Electronic, Optical and Thermodynamic Characteristics of Bi12sio20 Sillenite: First Principle Calculations

dc.authorid SURUCU, Gokhan/0000-0002-3910-8575
dc.authorid Gasanly, Nizami/0000-0002-3199-6686
dc.authorid Gencer, Aysenur/0000-0003-2574-3516
dc.authorid SURUCU, Gokhan/0000-0002-3910-8575
dc.authorid Isik, Mehmet/0000-0003-2119-8266
dc.authorscopusid 23766993100
dc.authorscopusid 35957498000
dc.authorscopusid 55780532700
dc.authorscopusid 35580905900
dc.authorwosid SURUCU, Gokhan/JJD-7550-2023
dc.authorwosid Gasanly, Nizami/HRE-1447-2023
dc.authorwosid Isik, Mehmet/KMY-5305-2024
dc.authorwosid SURUCU, Gokhan/JJE-3168-2023
dc.authorwosid Gencer, Aysenur/A-3727-2016
dc.authorwosid SURUCU, Gokhan/JJD-3288-2023
dc.contributor.author Isik, M.
dc.contributor.author Surucu, G.
dc.contributor.author Gencer, A.
dc.contributor.author Gasanly, N. M.
dc.contributor.other Department of Electrical & Electronics Engineering
dc.date.accessioned 2024-07-05T15:21:30Z
dc.date.available 2024-07-05T15:21:30Z
dc.date.issued 2021
dc.department Atılım University en_US
dc.department-temp [Isik, M.] Atilim Univ, Dept Elect & Elect Engn, TR-06836 Ankara, Turkey; [Surucu, G.; Gasanly, N. M.] Middle East Tech Univ, Dept Phys, TR-06800 Ankara, Turkey; [Surucu, G.] Ahi Evran Univ, Dept Elect & Energy, TR-40100 Kirsehir, Turkey; [Gencer, A.] Karamanoglu Mehmetbey Univ, Dept Phys, TR-70100 Karaman, Turkey en_US
dc.description SURUCU, Gokhan/0000-0002-3910-8575; Gasanly, Nizami/0000-0002-3199-6686; Gencer, Aysenur/0000-0003-2574-3516; SURUCU, Gokhan/0000-0002-3910-8575; Isik, Mehmet/0000-0003-2119-8266 en_US
dc.description.abstract Bi12XO20 (X: Si, Ge, Ti) ternary semiconducting compounds are known as sillenites and take a remarkable attention thanks to their attractive photorefractive properties. The present paper reports electronic, optical and thermodynamic characteristics of Bi12SiO20 by means of density functional theory (DFT) calculations. The crystalline structure of the compound was revealed as cubic with lattice constant of 10.135 angstrom. XRD pattern obtained from DFT calculations were compared with experimental data and there is a good consistency between them. The electronic band structure and density of state plots were presented in detail. The band gap energy of the compound was determined from electronic band structure and spectra of optical constants. The spectral dependencies of real and imaginary components of dielectric function, refractive index, extinction coefficient, absorption coefficient and loss function were plotted in the 0-12 eV spectral range. The revealed structural, electronic and optical characteristics were discussed taking into account the previously reported theoretical and experimental studies on the Bi12SiO20 sillenite. en_US
dc.description.sponsorship ATILIM University [ATuADP192003] en_US
dc.description.sponsorship This work was supported by ATILIM University under Grant No: ATuADP192003. The numerical calculations reported in this paper were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources) . en_US
dc.identifier.citationcount 6
dc.identifier.doi 10.1016/j.matchemphys.2021.124711
dc.identifier.issn 0254-0584
dc.identifier.issn 1879-3312
dc.identifier.scopus 2-s2.0-85105591814
dc.identifier.uri https://doi.org/10.1016/j.matchemphys.2021.124711
dc.identifier.uri https://hdl.handle.net/20.500.14411/2097
dc.identifier.volume 267 en_US
dc.identifier.wos WOS:000662834500004
dc.identifier.wosquality Q2
dc.institutionauthor Işık, Mehmet
dc.language.iso en en_US
dc.publisher Elsevier Science Sa en_US
dc.relation.publicationcategory Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı en_US
dc.rights info:eu-repo/semantics/closedAccess en_US
dc.scopus.citedbyCount 9
dc.subject Sillenites en_US
dc.subject Density-functional theory en_US
dc.subject Thermodynamics en_US
dc.subject Optical properties en_US
dc.subject Semiconductors en_US
dc.title Electronic, Optical and Thermodynamic Characteristics of Bi12sio20 Sillenite: First Principle Calculations en_US
dc.type Article en_US
dc.wos.citedbyCount 8
dspace.entity.type Publication
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