Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction
The electronic properties of InI and TlI crystals of an orthorhombic structure with a space group Cmcm are studied. Calculations of electron properties are performed on the basis of the projector augmented waves by means of the ABINIT program. Total and partial densities of electronic states are cal...
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| Format: | Article |
| Language: | English |
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Vasyl Stefanyk Precarpathian National University
2020-12-01
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| Series: | Фізика і хімія твердого тіла |
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| Online Access: | https://journals.pnu.edu.ua/index.php/pcss/article/view/4338 |
| _version_ | 1798022570248765440 |
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| author | S.V. Syrotyuk |
| author_facet | S.V. Syrotyuk |
| author_sort | S.V. Syrotyuk |
| collection | DOAJ |
| description | The electronic properties of InI and TlI crystals of an orthorhombic structure with a space group Cmcm are studied. Calculations of electron properties are performed on the basis of the projector augmented waves by means of the ABINIT program. Total and partial densities of electronic states are calculated. Electron energy spectra are found with the exchange-correlation functional GGA, without and taking into account the spin-orbital interaction. It was found that the bandgap of the InI, obtained without spin-orbital interaction, is less than the experimental value by 38%, and by 42%, taking into account the latter. For the TlI crystal, the corresponding values are 27% and 39%. The bandgap found from the quasiparticle equation in the GW approximation exhibits an excellent agreement with the experimental values for both crystals. |
| first_indexed | 2024-04-11T17:32:05Z |
| format | Article |
| id | doaj.art-3bcaa052a6984f8da1d8f0b9ba15c93b |
| institution | Directory Open Access Journal |
| issn | 1729-4428 2309-8589 |
| language | English |
| last_indexed | 2024-04-11T17:32:05Z |
| publishDate | 2020-12-01 |
| publisher | Vasyl Stefanyk Precarpathian National University |
| record_format | Article |
| series | Фізика і хімія твердого тіла |
| spelling | doaj.art-3bcaa052a6984f8da1d8f0b9ba15c93b2022-12-22T04:11:59ZengVasyl Stefanyk Precarpathian National UniversityФізика і хімія твердого тіла1729-44282309-85892020-12-0121469569910.15330/pcss.21.4.695-6994338Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interactionS.V. Syrotyuk0Lviv Polytechnic National UniversityThe electronic properties of InI and TlI crystals of an orthorhombic structure with a space group Cmcm are studied. Calculations of electron properties are performed on the basis of the projector augmented waves by means of the ABINIT program. Total and partial densities of electronic states are calculated. Electron energy spectra are found with the exchange-correlation functional GGA, without and taking into account the spin-orbital interaction. It was found that the bandgap of the InI, obtained without spin-orbital interaction, is less than the experimental value by 38%, and by 42%, taking into account the latter. For the TlI crystal, the corresponding values are 27% and 39%. The bandgap found from the quasiparticle equation in the GW approximation exhibits an excellent agreement with the experimental values for both crystals.https://journals.pnu.edu.ua/index.php/pcss/article/view/4338semiconductorspin-orbit couplinggreen’s functionenergy spectrumdos |
| spellingShingle | S.V. Syrotyuk Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction Фізика і хімія твердого тіла semiconductor spin-orbit coupling green’s function energy spectrum dos |
| title | Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction |
| title_full | Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction |
| title_fullStr | Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction |
| title_full_unstemmed | Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction |
| title_short | Electronic properties of orthorhombic InI and TlI crystals taking into account the quasiparticle corrections and spin-orbit interaction |
| title_sort | electronic properties of orthorhombic ini and tli crystals taking into account the quasiparticle corrections and spin orbit interaction |
| topic | semiconductor spin-orbit coupling green’s function energy spectrum dos |
| url | https://journals.pnu.edu.ua/index.php/pcss/article/view/4338 |
| work_keys_str_mv | AT svsyrotyuk electronicpropertiesoforthorhombiciniandtlicrystalstakingintoaccountthequasiparticlecorrectionsandspinorbitinteraction |