The extended hubbard model for NV- defect center in diamond
Închide
Articolul precedent
Articolul urmator
538 3
Ultima descărcare din IBN:
2022-09-15 12:07
SM ISO690:2012
NISTREANU, Andrei. The extended hubbard model for NV- defect center in diamond. In: Materials Science and Condensed Matter Physics, Ed. 8-th Edition, 12-16 septembrie 2016, Chişinău. Chişinău: Institutul de Fizică Aplicată, 2016, Editia 8, p. 252. ISBN 978-9975-9787-1-2.
EXPORT metadate:
Google Scholar
Crossref
CERIF

DataCite
Dublin Core
Materials Science and Condensed Matter Physics
Editia 8, 2016
Conferința "International Conference on Materials Science and Condensed Matter Physics"
8-th Edition, Chişinău, Moldova, 12-16 septembrie 2016

The extended hubbard model for NV- defect center in diamond


Pag. 252-252

Nistreanu Andrei
 
Institute of Applied Physics, Academy of Sciences of Moldova
 
Disponibil în IBN: 2 august 2019


Rezumat

The negatively charged nitrogen-vacancy (NV-) center in diamond is a defect complex composed of a substitutional nitrogen atom and an adjacent carbon vacancy[1]. This defect complex currently attracts much attention because of its extraordinary properties, such as long coherence times and potential application to quantum computing [2]   Using the simplest case of a NV- molecule, the basis of the extended Hubbard model[3] is presented. This model attempts to understand the physics of insulating systems especially those systems, which include impurities and vacancies. The results of the analysis are compared with those obtained from the complete active space self-consistent field (CASSCF) method. We mention that unlike CASSCF approach the extended Hubbard model offers exact diagonalization and consequently is more appropriate for the treatment of molecules or insulating materials.   Next we have calculated the oscillator strength of the dipole transition rates from the triplet ground states of the NV-. The ratio of the oscillator strengths is in very good quantitative agreement with the reported optical spectroscopic data. Electronic configurations in the triplet ground state(Fig.1) and dipole allowed excited states are presented. Fig. 4 The triplet ground state of NV- center in diamond with the three molecular orbitals (MOs) in the vicinity of the vacancy is represented. Red and blue components represent positive and negative contributions to the MO respectively  (a) a1, (b) ex , (c) ey molecular orbitals(MO) in the band gap of NV- center.