Influence of the relative magnitude of the Jahn-Teller effect and level splitting in a cubic crystal field on the properties of the ground state of vacancy defects in semiconductors

2000 ◽  
Vol 42 (7) ◽  
pp. 1231-1235 ◽  
Author(s):  
N. S. Averkiev ◽  
A. A. Gutkin ◽  
S. Yu. Il’inskii
Keyword(s):  
Crystal Field ◽  
Ground State ◽  
Relative Magnitude ◽  
Teller Effect ◽  
Cubic Crystal ◽  
Vacancy Defects ◽  
Level Splitting ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Defects In Semiconductors

Jahn-Teller effect and the orbital ground state of Cu2+ ions in Eu2CuO4 and La2CuO4 crystals

1997 ◽  
Vol 39 (9) ◽  
pp. 1425-1432 ◽  
Author(s):  
E. I. Golovenchits ◽  
V. A. Sanina ◽  
A. A. Levin ◽  
Yu. I. Smolin ◽  
Yu. F. Shepelev
Keyword(s):  
Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Optical Absorption Spectra and Dynamic Jahn-Teller Effect of V2+ Ions in ZnSe

2008 ◽  
Vol 63 (12) ◽  
pp. 830-838
Author(s):  
Yi-Yang Zhou
Keyword(s):  
Optical Absorption ◽  
Crystal Field ◽  
Absorption Spectra ◽  
Optical Absorption Spectra ◽  
Cubic Crystal ◽  
Racah Parameter ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Tetrahedral Crystal ◽  
Good Agreement

The Hamiltonian matrices for 3d3 ions in a cubic crystal field are introduced, based on a molecular orbital model, including the electronic Coulomb and tetrahedral crystal-field interactions and the spin-orbit coupling. The optical absorption spectra of V2+ ions in ZnSe are studied. Moreover, the various additional levels found close to 5680 cm−1 are considered. These levels are assumed to result from the dynamic Jahn-Teller splitting within the excitation levels 2T2 and 2T1 in ZnSe:V2+. The good agreement between the present results and the experimental observations indicates that the contribution of the covalence reduction factors NE and NT2 and of the Racah parameter A to the optical absorption spectra of V2+ ions in ZnSe is important. However, most of the previous theoretical studies of these spectra in ZnSe:V2+ have neglected the Racah parameter A, based on the classical crystalfield model. A significant charge-transfer effect found in recent works is confirmed in ZnSe:V2+.

Ab initio-CI study of SCH 3 radical: analysis of the Jahn–Teller effect in the ground state

2000 ◽  
Vol 497 (1-3) ◽  
pp. 197-203 ◽  
Author(s):  
R. Drissi El Bouzaidi ◽  
A. El Hammadi ◽  
A. Boutalib ◽  
M. El Mouhtadi
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

scholarly journals Strong spin–orbit quenching via the product Jahn–Teller effect in neutral group IV qubits in diamond

2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Christopher J. Ciccarino ◽  
Johannes Flick ◽  
Isaac B. Harris ◽  
Matthew E. Trusheim ◽  
Dirk R. Englund ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Group Iv ◽  
Teller Effect ◽  
Color Centers ◽  
Spin Orbit ◽  
Neutral Group ◽  
Theoretical Understanding ◽  
Jahn Teller ◽  
Jahn Teller Effect

Abstract Artificial atom qubits in diamond have emerged as leading candidates for a range of solid-state quantum systems, from quantum sensors to repeater nodes in memory-enhanced quantum communication. Inversion-symmetric group IV vacancy centers, comprised of Si, Ge, Sn, and Pb dopants, hold particular promise as their neutrally charged electronic configuration results in a ground-state spin triplet, enabling long spin coherence above cryogenic temperatures. However, despite the tremendous interest in these defects, a theoretical understanding of the electronic and spin structure of these centers remains elusive. In this context, we predict the ground-state and excited-state properties of the neutral group IV color centers from first principles. We capture the product Jahn–Teller effect found in the excited state manifold to second order in electron–phonon coupling, and present a nonperturbative treatment of the effect of spin–orbit coupling. Importantly, we find that spin–orbit splitting is strongly quenched due to the dominant Jahn–Teller effect, with the lowest optically-active 3Eu state weakly split into ms-resolved states. The predicted complex vibronic spectra of the neutral group IV color centers are essential for their experimental identification and have key implications for use of these systems in quantum information science.

Reserach on Fine Structure of Ground-State Energy Levels and the Jahn-Teller Effect of Fe2P2S6Crystal

2014 ◽  
Vol 34 (5) ◽  
pp. 0526002
Author(s):  
殷春浩 Yin Chunhao ◽  
徐振坤 Xu Zhenkun ◽  
吴彩平 Wu Caiping ◽  
张雷 Zhang Lei ◽  
焦杨 Jiao Yang ◽  
...  
Keyword(s):  
Fine Structure ◽  
Ground State Energy ◽  
Ground State ◽  
State Energy ◽  
Energy Levels ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

scholarly journals E⊗e Jahn–Teller Effect in ${\rm C}_{70}^{3-}$ Systems

1997 ◽  
Vol 11 (16) ◽  
pp. 1969-1978 ◽  
Author(s):  
Lin Tian ◽  
Ya-Sha Yi ◽  
Chui-Lin Wang ◽  
Zhao-Bin Su
Keyword(s):  
Ground State ◽  
Berry Phase ◽  
Lattice Relaxation ◽  
Teller Effect ◽  
Phonon Interaction ◽  
Final State ◽  
Electron Phonon Interaction ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Extra Electron

The electron–phonon interaction in C 70 anions is studied by making use of a lattice relaxation approach. We find there exists a Jahn–Teller effect in [Formula: see text] system, due to an extra electron being doped to the double degenerate [Formula: see text] state. As a result of this effect, the original D5h symmetry of the ground state becomes unstable, which causes distortion of the lattice configuration. The only symmetry maintained in the final state of the relaxation is the x–y plane reflection symmetry. We further find that besides the Jahn–Teller active [Formula: see text] modes, the non-Jahn–Teller active [Formula: see text] vibrations also contribute to the relaxation process. The [Formula: see text] components come from the nonlinear effect and are two or three orders smaller than those of the Jahn–Teller active modes. We suggest that the [Formula: see text] molecule is a promising Berry Phase candidate in this effective E⊗e Jahn–Teller system.

A physical explanation of the ground state crossover in the H⊗h Jahn–Teller effect

2002 ◽  
Vol 117 (9) ◽  
pp. 4340-4347 ◽  
Author(s):  
Victor Z. Polinger ◽  
Ruiwang Huang ◽  
Janette L. Dunn ◽  
Colin A. Bates
Keyword(s):  
Ground State ◽  
Teller Effect ◽  
Physical Explanation ◽  
Jahn Teller ◽  
Jahn Teller Effect
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