Combined tight-binding and configuration interaction study of unfolded electronic structure of the G color center in Si

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00177016%3A_____%2F25%3AN0000099" target="_blank" >RIV/00177016:_____/25:N0000099 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14310/25:00140142

Výsledek na webu

<a href="https://journals.aps.org/prb/abstract/10.1103/8d5x-779h" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/8d5x-779h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/8d5x-779h" target="_blank" >10.1103/8d5x-779h</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Combined tight-binding and configuration interaction study of unfolded electronic structure of the G color center in Si

Popis výsledku v původním jazyce

We have theoretically studied the G center in bulk silicon material using the empirical tight-binding model for calculations of unfolded band structures with configuration interaction correction for the exciton at P point of the Brillouin zone. The G center in B configuration (emissive) being a candidate structure as the telecom single-and entangled-photon source has two substitutional carbons and one interstitial atom embedded into the bulk in six equally possible configurations. Taking advantage of the low computation effort of the tight-binding and unfolding approaches, it is possible to calculate and analyze the behavior of a variety of electronic configurations. Our tight-binding model is able to describe not only the behavior of the G center in the silicon bulk but using the unfolding approach, it can also pinpoint the contributions of different elements of the supercell on the final pseudoband structure. Moreover, the configuration interaction correction with single-particle basis states computed by our unfolded tight-binding model predicts a very small fine-structure splitting of the ground state exciton, both for bright and dark doubletes, in the studied system. That underscores the possibility of the silicon G center to become a very good emitter of single and entangled photons for quantum communication and computation applications.

Název v anglickém jazyce

Combined tight-binding and configuration interaction study of unfolded electronic structure of the G color center in Si

Popis výsledku anglicky

We have theoretically studied the G center in bulk silicon material using the empirical tight-binding model for calculations of unfolded band structures with configuration interaction correction for the exciton at P point of the Brillouin zone. The G center in B configuration (emissive) being a candidate structure as the telecom single-and entangled-photon source has two substitutional carbons and one interstitial atom embedded into the bulk in six equally possible configurations. Taking advantage of the low computation effort of the tight-binding and unfolding approaches, it is possible to calculate and analyze the behavior of a variety of electronic configurations. Our tight-binding model is able to describe not only the behavior of the G center in the silicon bulk but using the unfolding approach, it can also pinpoint the contributions of different elements of the supercell on the final pseudoband structure. Moreover, the configuration interaction correction with single-particle basis states computed by our unfolded tight-binding model predicts a very small fine-structure splitting of the ground state exciton, both for bright and dark doubletes, in the studied system. That underscores the possibility of the silicon G center to become a very good emitter of single and entangled photons for quantum communication and computation applications.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10300 - Physical sciences

Projekt

<a href="/cs/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Kvantové materiály pro aplikace v udržitelných technologiích</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

PHYSICAL REVIEW B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

112

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

—

Kód UT WoS článku

001596723400001

EID výsledku v databázi Scopus

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