Theoretical Investigation of Yield-Enhancing Equilibrium Negatively Ionized Tin-Vacancy Center Preparation Pathways in N-Doped Diamond
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866909567947898880 |
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| author | Bahulikar, Aditya Richardson, Steven L. Defo, Rodrick Kuate |
| author_facet | Bahulikar, Aditya Richardson, Steven L. Defo, Rodrick Kuate |
| contents | The elucidation of the mechanism of Sn$V^-$ formation in diamond is especially important as the Sn$V^-$ color center has the potential to be a superior single-photon emitter when compared to the N$V$ and to other Group IV color centers. The typical formation of the Sn$V$ involves placing Sn in diamond by ion implantation, but the formation of a charged Sn$V$ species requires an additional complication. This complication is related to the energy cost associated with electronic transitions within the host diamond. Effectively, producing the Sn$V^-$ charge state using an electron obtained from a band edge of the host diamond is less energetically favorable than having the Sn$V^-$ receive an electron from a neighboring donor dopant. Among donor dopants, substitutional N (N$_\text{C}$) is always present in even the purest synthetic or natural diamond sample. The mechanism of electron donation by N$_\text{C}$ has been proposed by Collins for charging the N$V$ in diamond and it has been used to interpret many experimental results. Therefore, in this paper we use DFT to explore the pathways for the formation of the Sn$V^-$ charge state due to electron donation arising from the presence of N$_\text{C}$ in the host diamond. Explicitly, defect concentrations are calculated in equilibrium in each of the explored pathways to determine the yield of the Sn$V^-$ throughout each of the pathways. The importance of our work is to suggest experimental ways of enhancing the yield of charged states like the Sn$V^-$ in diamond for transformative applications in optoelectronics and quantum information. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2501_00177 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Theoretical Investigation of Yield-Enhancing Equilibrium Negatively Ionized Tin-Vacancy Center Preparation Pathways in N-Doped Diamond Bahulikar, Aditya Richardson, Steven L. Defo, Rodrick Kuate Materials Science The elucidation of the mechanism of Sn$V^-$ formation in diamond is especially important as the Sn$V^-$ color center has the potential to be a superior single-photon emitter when compared to the N$V$ and to other Group IV color centers. The typical formation of the Sn$V$ involves placing Sn in diamond by ion implantation, but the formation of a charged Sn$V$ species requires an additional complication. This complication is related to the energy cost associated with electronic transitions within the host diamond. Effectively, producing the Sn$V^-$ charge state using an electron obtained from a band edge of the host diamond is less energetically favorable than having the Sn$V^-$ receive an electron from a neighboring donor dopant. Among donor dopants, substitutional N (N$_\text{C}$) is always present in even the purest synthetic or natural diamond sample. The mechanism of electron donation by N$_\text{C}$ has been proposed by Collins for charging the N$V$ in diamond and it has been used to interpret many experimental results. Therefore, in this paper we use DFT to explore the pathways for the formation of the Sn$V^-$ charge state due to electron donation arising from the presence of N$_\text{C}$ in the host diamond. Explicitly, defect concentrations are calculated in equilibrium in each of the explored pathways to determine the yield of the Sn$V^-$ throughout each of the pathways. The importance of our work is to suggest experimental ways of enhancing the yield of charged states like the Sn$V^-$ in diamond for transformative applications in optoelectronics and quantum information. |
| title | Theoretical Investigation of Yield-Enhancing Equilibrium Negatively Ionized Tin-Vacancy Center Preparation Pathways in N-Doped Diamond |
| topic | Materials Science |
| url | https://arxiv.org/abs/2501.00177 |