The Jahn–Teller effect in the lower electronic states of benzene cation. III. The ground-state vibrations of C6H6+ and C6D6+

2004 ◽  
Vol 120 (18) ◽  
pp. 8587-8599 ◽  
Author(s):  
Andrew B. Burrill ◽  
You K. Chung ◽  
Heather A. Mann ◽  
Philip M. Johnson
Keyword(s):  
Ground State ◽  
Electronic States ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Cooperative Pseudo Jahn-Teller Effect as Microscopic Mechanism of (OMT)-(LTT) Structural Phase Transition in La2−xBaxCuO4Superconductors

1992 ◽  
Vol 291 ◽  
Author(s):  
Michael D. Kaplan
Keyword(s):  
Phase Transition ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Electronic States ◽  
Teller Effect ◽  
Excited Electronic States ◽  
Microscopic Mechanism ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Local Distortions

ABSTRACTA microscopic mechanism for the structural phase transition from the orthorhombic mediate temperature (OMT) phase into the low temperature tetragonal (LTT) one is suggested on the basis of the cooperative pseudo Jahn-Teller effect. The local distortions mixing the ground and the first excited electronic states are ordered antiferrodistortively and are connected in part, with the oxygen octahedra rotations around the [100] axis. The results are in agreement, with the neutron scattering experiments data.

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

scholarly journals The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃1E′′ state of NH2D and NHD2

2015 ◽  
Vol 17 (21) ◽  
pp. 14145-14158 ◽  
Author(s):  
Ashim Kumar Saha ◽  
Gautam Sarma ◽  
Chung-Hsin Yang ◽  
Sebastiaan Y. T. van de Meerakker ◽  
David H. Parker ◽  
...  
Keyword(s):  
Force Field ◽  
Field Model ◽  
Electronic States ◽  
Teller Effect ◽  
Isotopic Substitution ◽  
Quadratic Force Field ◽  
Jahn Teller ◽  
Jahn Teller Effect

A simple linear and quadratic force field model for the lifting of the degeneracy on asymmetric isotopic substitution in degenerate electronic states subject to a weak Jahn–Teller effect.

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
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