First principles calculations of indium impurity-cadmium vacancy complex in CdTe
Vernadsky National Library of Ukraine
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe
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| Creator |
Yuriychuk, I.
Solodin, S. Fochuk, P. |
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| Subject |
Characterization and properties
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| Description |
First principles calculations are used to study stability of the complex formed by indium impurity and cadmium vacancy in CdTe. Formation energies and transition energy levels of the cadmium vacancy, indium impurity and their complex in different charge states are calculated using supercell method within density functional theory in the local density approximation. From the analysis of binding energy of the complex it is found that formation of the complex is favorable and the neutral and single charged states of the complex are stable. The studies of the formation energy as a function of the Fermi level show that interaction between the shallow indium impurity and cadmium vacancy results in the Fermi level pinning near the middle of the semiconductor band gap and leads to the formation of semi-insulating material.
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| Date |
2019-06-19T16:44:23Z
2019-06-19T16:44:23Z 2018 |
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| Type |
Article
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| Identifier |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe / I. Yuriychuk, S. Solodin, P. Fochuk // Functional Materials. — 2018. — Т. 25, № 3. — С. 568-573. — Бібліогр.: 17 назв. — англ.
1027-5495 DOI:https://doi.org/10.15407/fm25.03.568 http://dspace.nbuv.gov.ua/handle/123456789/157170 |
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| Language |
en
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| Relation |
Functional Materials
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| Publisher |
НТК «Інститут монокристалів» НАН України
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