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

Result code in 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>

Alternative codes found

RIV/00216224:14310/25:00140142

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10300 - Physical sciences

Project

<a href="/en/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Quantum materials for applications in sustainable technologies</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

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

Name of the periodical

PHYSICAL REVIEW B

ISSN

2469-9950

e-ISSN

2469-9969

Volume of the periodical

112

Issue of the periodical within the volume

16

Country of publishing house

US - UNITED STATES

Number of pages

12

Pages from-to

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UT code for WoS article

001596723400001

EID of the result in the Scopus database

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