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Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment
Energy band structure, total and local partial densities of states, spatial distribution of electronic density of 2H-SnSe₂ have been calculated using the densitym functional theory method in LDA and LDA+U approximations both with and without consideration of spin-orbit interaction. From the band str...
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Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України
2016
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| Series: | Semiconductor Physics Quantum Electronics & Optoelectronics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/121533 |
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irk-123456789-1215332017-06-15T03:04:58Z Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment Bletskan, D.I. Glukhov, K.E. Frolova, V.V. Energy band structure, total and local partial densities of states, spatial distribution of electronic density of 2H-SnSe₂ have been calculated using the densitym functional theory method in LDA and LDA+U approximations both with and without consideration of spin-orbit interaction. From the band structure calculation results, it follows that 2H-SnSe₂ is an indirect-gap semiconductor. The calculated band structure is compared with the dispersion curves E(k) plotted using the known measurement results of angular dependent photoemission spectra. It has been observed the good agreement between theoretical and experimental dispersion curves. The calculated total and local partial densities of states have been compared with the known experimental data obtained using XPS, UPS, ARXPS, BIS methods. 2016 Article Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment / D.I. Bletskan, K.E. Glukhov, V.V. Frolova // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2016. — Т. 19, № 1. — С. 98-108. — Бібліогр.: 42 назв. — англ. 1560-8034 DOI: 10.15407/spqeo19.01.098 http://dspace.nbuv.gov.ua/handle/123456789/121533 en Semiconductor Physics Quantum Electronics & Optoelectronics Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України |
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English |
| description |
Energy band structure, total and local partial densities of states, spatial distribution of electronic density of 2H-SnSe₂ have been calculated using the densitym functional theory method in LDA and LDA+U approximations both with and without consideration of spin-orbit interaction. From the band structure calculation results, it follows that 2H-SnSe₂ is an indirect-gap semiconductor. The calculated band structure is compared with the dispersion curves E(k) plotted using the known measurement results of angular dependent photoemission spectra. It has been observed the good agreement between theoretical and experimental dispersion curves. The calculated total and local partial densities of states have been compared with the known experimental data obtained using XPS, UPS, ARXPS, BIS methods. |
| format |
Article |
| author |
Bletskan, D.I. Glukhov, K.E. Frolova, V.V. |
| spellingShingle |
Bletskan, D.I. Glukhov, K.E. Frolova, V.V. Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment Semiconductor Physics Quantum Electronics & Optoelectronics |
| author_facet |
Bletskan, D.I. Glukhov, K.E. Frolova, V.V. |
| author_sort |
Bletskan, D.I. |
| title |
Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment |
| title_short |
Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment |
| title_full |
Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment |
| title_fullStr |
Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment |
| title_full_unstemmed |
Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment |
| title_sort |
electronic structure of 2h-snse₂: ab initio modeling and comparison with experiment |
| publisher |
Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України |
| publishDate |
2016 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/121533 |
| citation_txt |
Electronic structure of 2H-SnSe₂: ab initio modeling and comparison with experiment / D.I. Bletskan, K.E. Glukhov, V.V. Frolova // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2016. — Т. 19, № 1. — С. 98-108. — Бібліогр.: 42 назв. — англ. |
| series |
Semiconductor Physics Quantum Electronics & Optoelectronics |
| work_keys_str_mv |
AT bletskandi electronicstructureof2hsnse2abinitiomodelingandcomparisonwithexperiment AT glukhovke electronicstructureof2hsnse2abinitiomodelingandcomparisonwithexperiment AT frolovavv electronicstructureof2hsnse2abinitiomodelingandcomparisonwithexperiment |
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2023-10-18T20:39:47Z |
| last_indexed |
2023-10-18T20:39:47Z |
| _version_ |
1796150786825125888 |