Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride
We investigate defect properties in hexagonal boron nitride (hBN) which is attracting much attention as a single photon emitter. Using first-principles calculations, we find that nitrogen-vacancy defect VN has a lower energy structure in C1h symmetry in 1− charge state than the previously known D3h...
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| Format: | Article |
| Language: | English |
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Wiley
2022-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2022/1036942 |
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| author | Chang-Youn Moon Kee-Suk Hong Yong-Sung Kim |
| author_facet | Chang-Youn Moon Kee-Suk Hong Yong-Sung Kim |
| author_sort | Chang-Youn Moon |
| collection | DOAJ |
| description | We investigate defect properties in hexagonal boron nitride (hBN) which is attracting much attention as a single photon emitter. Using first-principles calculations, we find that nitrogen-vacancy defect VN has a lower energy structure in C1h symmetry in 1− charge state than the previously known D3h symmetry structure. Noting that carbon has one more valence electron than boron species, our finding naturally points to the correspondence between VN and VNCB defects with one charge state difference between them, which is indeed confirmed by the similarity of atomic symmetries, density of states, and excitation energies. Since VNCB is considered as a promising candidate for the source of single photon emission, our study suggests VN as another important candidate worth attention, with its simpler form without the incorporation of foreign elements into the host material. |
| format | Article |
| id | doaj-art-d359bf97495b46c7bfdff5bcbdd720dd |
| institution | Kabale University |
| issn | 1687-8124 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-d359bf97495b46c7bfdff5bcbdd720dd2025-02-03T06:05:31ZengWileyAdvances in Condensed Matter Physics1687-81242022-01-01202210.1155/2022/1036942Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron NitrideChang-Youn Moon0Kee-Suk Hong1Yong-Sung Kim2Advanced Instrumentation InstituteQuantum Technology InstituteInterdisciplinary Materials Measurement InstituteWe investigate defect properties in hexagonal boron nitride (hBN) which is attracting much attention as a single photon emitter. Using first-principles calculations, we find that nitrogen-vacancy defect VN has a lower energy structure in C1h symmetry in 1− charge state than the previously known D3h symmetry structure. Noting that carbon has one more valence electron than boron species, our finding naturally points to the correspondence between VN and VNCB defects with one charge state difference between them, which is indeed confirmed by the similarity of atomic symmetries, density of states, and excitation energies. Since VNCB is considered as a promising candidate for the source of single photon emission, our study suggests VN as another important candidate worth attention, with its simpler form without the incorporation of foreign elements into the host material.http://dx.doi.org/10.1155/2022/1036942 |
| spellingShingle | Chang-Youn Moon Kee-Suk Hong Yong-Sung Kim Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride Advances in Condensed Matter Physics |
| title | Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride |
| title_full | Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride |
| title_fullStr | Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride |
| title_full_unstemmed | Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride |
| title_short | Analogous Atomic and Electronic Properties between VN and VNCB Defects in Hexagonal Boron Nitride |
| title_sort | analogous atomic and electronic properties between vn and vncb defects in hexagonal boron nitride |
| url | http://dx.doi.org/10.1155/2022/1036942 |
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