N. Ismayilova, S. Asadullayeva, M. Musayev, D.J. Askerov
{"title":"Computational and experimental approach for investigation of optical properties of single-crystal MnGa2Se4","authors":"N. Ismayilova, S. Asadullayeva, M. Musayev, D.J. Askerov","doi":"10.1139/cjp-2023-0255","DOIUrl":null,"url":null,"abstract":"In the presented work, we propose a systematic investigation of the electronic and optical properties of MnGa2Se4 by combining the spectroscopic ellipsometry carried out at room temperature in the spectral range of 1–4 eV and density functional theory (DFT) calculations. Ellipsometric measurements were collected at an incidence angle between 60° and 75° with a 5° step. The optical direct gap energies of MnGa2Se4 were estimated from the linear extrapolation of the absorption coefficients that were verified by band structure calculation. DFT calculation of the imaginary part ɛ shows that first critical point occurs at 2.46 eV and represents the direct optical transition at Γ point. The total magnetic moment of compound is 3.38 mB. The major contribution in total magnetic moment is due to 3 d state of Mn atoms.","PeriodicalId":9413,"journal":{"name":"Canadian Journal of Physics","volume":null,"pages":null},"PeriodicalIF":1.1000,"publicationDate":"2024-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Canadian Journal of Physics","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1139/cjp-2023-0255","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
In the presented work, we propose a systematic investigation of the electronic and optical properties of MnGa2Se4 by combining the spectroscopic ellipsometry carried out at room temperature in the spectral range of 1–4 eV and density functional theory (DFT) calculations. Ellipsometric measurements were collected at an incidence angle between 60° and 75° with a 5° step. The optical direct gap energies of MnGa2Se4 were estimated from the linear extrapolation of the absorption coefficients that were verified by band structure calculation. DFT calculation of the imaginary part ɛ shows that first critical point occurs at 2.46 eV and represents the direct optical transition at Γ point. The total magnetic moment of compound is 3.38 mB. The major contribution in total magnetic moment is due to 3 d state of Mn atoms.
期刊介绍:
The Canadian Journal of Physics publishes research articles, rapid communications, and review articles that report significant advances in research in physics, including atomic and molecular physics; condensed matter; elementary particles and fields; nuclear physics; gases, fluid dynamics, and plasmas; electromagnetism and optics; mathematical physics; interdisciplinary, classical, and applied physics; relativity and cosmology; physics education research; statistical mechanics and thermodynamics; quantum physics and quantum computing; gravitation and string theory; biophysics; aeronomy and space physics; and astrophysics.