Group theoretical analysis of nitrogen-vacancy center’s energy levels and selection rules

2011 ◽  
Vol 1282 ◽  
Author(s):  
J. R. Maze ◽  
A. Gali ◽  
E. Togan ◽  
Y. Chu ◽  
A. Trifonov ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Energy Levels ◽  
Vacancy Defect ◽  
Nitrogen Vacancy ◽  
Spin Interaction ◽  
State Structure ◽  
Spin Properties ◽  
State Configuration ◽  
Group Theoretical Analysis

ABSTRACTWe use a group theoretical approach to model the nitrogen-vacancy defect in diamond. In our analysis we clarify several properties of this defect that have been source of controversy such as the ordering of the singlets and the mechanism that leads to spin mixing in the excited state of this defect. In particular, we demonstrate that the ordering of the ground state configuration (e2) is {3A2, 1E, 1A1} and that the spin-spin interaction causes the mixing in the excited state. In addition, we analyze the angular momentum and spin properties of the excited state structure that enables a spin photon entanglement scheme that has been recently demonstrate experimentally. Our description is general and it can be easily applied to other defects in solid-state systems.

Density Functional Theory on NV Center in 4H SiC

2017 ◽  
Vol 897 ◽  
pp. 269-274 ◽  
Author(s):  
András Csóré ◽  
Ádám Gali
Keyword(s):  
Density Functional Theory ◽  
Ground State ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Vacancy Defect ◽  
The Other ◽  
Nitrogen Vacancy ◽  
Functional Theory ◽  
Triplet Ground State ◽  
Nv Center

Paramagnetic defects in solids have become attractive systems for quantum computing as well as magnetometry in recent years. One of the leading contenders is the negatively charged nitrogen-vacancy defect (NV center) in diamond proposed to be highly promising with respect the afore-mentioned applications. In our study we investigate the NCVSi defect in 3C, 4H and 6H SiC as alternative choices with superior properties. Electronic structure of NV center in SiC exhibits S = 1 triplet ground state with the possibility of optical spin polarization. On the other hand, our results obtained by density functional theory calculations may contribute to unambiguously identify the possible defect configurations.

ENERGY LEVELS OF A POLARON IN A FINITE PARABOLIC QUANTUM WELL

2001 ◽  
Vol 15 (05) ◽  
pp. 527-535 ◽  
Author(s):  
FENG-QI ZHAO ◽  
XI XIA LIANG ◽  
SHILIANG BAN
Keyword(s):  
Excited State ◽  
Variational Method ◽  
Quantum Well ◽  
Ground State ◽  
Transition Energy ◽  
Energy Levels ◽  
Phonon Interaction ◽  
Electron Phonon Interaction ◽  
Hole Energy ◽  
First Excited State

The effects of the electron–phonon interaction on the electron (or hole) energy levels in parabolic quantum well (PQW) structures are studied. The ground state, the first excited state and the transition energy of the electron (or hole) in the GaAs/Al 0.3 Ga 0.7 As parabolic quantum well are calculated by using a modified Lee–Low–Pines Variational method. The numerical results are given and discussed. A comparison between the theoretical and experimental results is made.

scholarly journals About the origin of the large Stokes shift in aminoalkyl substituted heptamethine cyanine dyes

2020 ◽  
Vol 22 (1) ◽  
pp. 129-135 ◽  
Author(s):  
Cristina Sissa ◽  
Anna Painelli ◽  
Francesca Terenziani ◽  
Massimo Trotta ◽  
Roberta Ragni
Keyword(s):  
Excited State ◽  
Ground State ◽  
Stokes Shift ◽  
Cyanine Dyes ◽  
Ground State Structure ◽  
State Structure ◽  
Large Stokes Shift

Aminoalkyl substituted heptamethine cyanines show a large Stokes shift, ascribed to the geometry relaxation upon photoexcitation that drives the molecule from a distorted ground state structure to a planar and cyanine-like excited state.

Inversion of 4f-states in CeB6 thermally excited at 430 K

2007 ◽  
Vol 63 (5) ◽  
pp. 683-692 ◽  
Author(s):  
Ryoko Makita ◽  
Kiyoaki Tanaka ◽  
Yoshichika Ōnuki ◽  
Hiroshi Tatewaki
Keyword(s):  
Excited State ◽  
Energy Level ◽  
Ground State ◽  
Electron Density Distribution ◽  
Atomic Orbital ◽  
Energy Levels ◽  
X Ray ◽  
Small Furnace ◽  
Lower Temperature ◽  
Orbital Analysis

The 4f states of Ce in a typical Kondo crystal, CeB6, are split into an excited state Γ7 and the ground state Γ8, with an excitation energy at 560 K. The electron-density distribution of the thermally excited state was measured at 430 K using a four-circle diffractometer equipped with a small furnace. In contrast to the previous results at lower temperature, electrons are transferred from B6 to Ce at 430 K. X-ray atomic-orbital analysis revealed that the 5d-Γ8 orbitals (the energy level of which is similar to that of the B-2p orbitals) are fully occupied and the 4f-Γ7 orbitals are more populated than the 4f-Γ8 orbitals. Fully occupied 5d-Γ8 makes the 4f-Γ8 states unstable and the energy levels of 4f-Γ7 and 4f-Γ8 are inverted.

scholarly journals Low Temperature Studies of the Excited-State Structure of Negatively Charged Nitrogen-Vacancy Color Centers in Diamond

2009 ◽  
Vol 102 (19) ◽  
Author(s):  
A. Batalov ◽  
V. Jacques ◽  
F. Kaiser ◽  
P. Siyushev ◽  
P. Neumann ◽  
...  
Keyword(s):  
Excited State ◽  
Low Temperature ◽  
Nitrogen Vacancy ◽  
Color Centers ◽  
State Structure

A New Method for Band Contour Analysis with Application to the Spectrum of Pyridine-4-d1

1973 ◽  
Vol 51 (10) ◽  
pp. 1031-1038 ◽  
Author(s):  
F. W. Birss ◽  
S. D. Colson ◽  
D. A. Ramsay
Keyword(s):  
Excited State ◽  
Ground State ◽  
Energy Levels ◽  
New Method ◽  
Contour Analysis ◽  
Rotational Constants ◽  
Near Ultraviolet ◽  
Asymmetric Rotor ◽  
Band Contour ◽  
Molecular Dimensions

A new method for generating band contours is described which is both rapid and accurate. One contour is generated from another using the differentials of the energy levels with respect to the rotational constants, thus avoiding the need for repeated diagonalization of the asymmetric rotor matrices.The method is applied to two C-type bands in the near ultraviolet π*–n transition of pyridine-4-d1. For the 0–0 band the following constants are obtained: A′ = 0.19843 ± 0.00008 cm−1, B′ = 0.17957 ± 0.00008 cm−1, C′ = 0.09426 ± 0.00020 cm−1, ν0 = 34 800.31 cm−1. These constants are slightly smaller than the ground state constants, indicating a very small increase in the molecular dimensions in the excited state.

scholarly journals Short Communications The Level Structure Of Mass-5 And Mass-3 Nuclei.

1966 ◽  
Vol 19 (6) ◽  
pp. 893 ◽  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Energy Levels ◽  
Level Structure ◽  
First Excited State

The known energy levels of the mass-5 nuclei (Lauritsen and AjzenbergSelove 1966) consist of a broad ground state and first excited state, which have been clearly demonstrated to have a structure (~He+lp3/2 nucleon) and (~He+lpl/2 nucleon) respectively, a

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