First principles calculations of indium impurity-cadmium vacancy complex in CdTe
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 w...
Saved in:
| Published in: | Functional Materials |
|---|---|
| Date: | 2018 |
| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
НТК «Інститут монокристалів» НАН України
2018
|
| Subjects: | |
| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/157170 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | 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. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
nasplib_isofts_kiev_ua-123456789-157170 |
|---|---|
| record_format |
dspace |
| spelling |
Yuriychuk, I. Solodin, S. Fochuk, P. 2019-06-19T16:44:23Z 2019-06-19T16:44:23Z 2018 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 https://nasplib.isofts.kiev.ua/handle/123456789/157170 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. en НТК «Інститут монокристалів» НАН України Functional Materials Characterization and properties First principles calculations of indium impurity-cadmium vacancy complex in CdTe Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe |
| spellingShingle |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe Yuriychuk, I. Solodin, S. Fochuk, P. Characterization and properties |
| title_short |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe |
| title_full |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe |
| title_fullStr |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe |
| title_full_unstemmed |
First principles calculations of indium impurity-cadmium vacancy complex in CdTe |
| title_sort |
first principles calculations of indium impurity-cadmium vacancy complex in cdte |
| author |
Yuriychuk, I. Solodin, S. Fochuk, P. |
| author_facet |
Yuriychuk, I. Solodin, S. Fochuk, P. |
| topic |
Characterization and properties |
| topic_facet |
Characterization and properties |
| publishDate |
2018 |
| language |
English |
| container_title |
Functional Materials |
| publisher |
НТК «Інститут монокристалів» НАН України |
| format |
Article |
| 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.
|
| issn |
1027-5495 |
| url |
https://nasplib.isofts.kiev.ua/handle/123456789/157170 |
| citation_txt |
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. |
| work_keys_str_mv |
AT yuriychuki firstprinciplescalculationsofindiumimpuritycadmiumvacancycomplexincdte AT solodins firstprinciplescalculationsofindiumimpuritycadmiumvacancycomplexincdte AT fochukp firstprinciplescalculationsofindiumimpuritycadmiumvacancycomplexincdte |
| first_indexed |
2025-11-30T22:08:56Z |
| last_indexed |
2025-11-30T22:08:56Z |
| _version_ |
1850858547809615872 |