Evidence for a Jahn-Teller Distortion in the CMR Layered Manganite La1.4Sr1.6Mn2O7

1997 ◽  
Vol 494 ◽  
Author(s):  
Despina Louca ◽  
G. H. Kwei ◽  
J. F. Mitchell
Keyword(s):  
Function Analysis ◽  
Layered Compounds ◽  
Crystallographic Structure ◽  
Teller Distortion ◽  
Atomic Pair ◽  
Pair Density ◽  
Jahn Teller ◽  
Pulsed Neutron ◽  
Jahn Teller Distortion ◽  
Comparable Magnitude

ABSTRACTThe changes with temperature in the crystallographic structure of the two-layered La1.4Sr1.6Mn2O7, are on average quite small but the atomic pair density function analysis of pulsed neutron diffraction data shows that the lattice is locally distorted in accordance with the change in the transport properties. In particular, while no Jahn-Teller (JT) distortion is expected in the layered compounds because the octahedral bilayers are almost cubic, lattice distortions attributed to a large JT effect are present and are of comparable magnitude as in the cubic perovskite system. This could in turn explain the similarity in their properties. The number of the JT distorted sites is reduced with temperature concomitantly with the decrease in resistivity of the ab-plane.

Local Jahn-Teller distortion inLa1−xSrxMnO3observed by pulsed neutron diffraction

1997 ◽  
Vol 56 (14) ◽  
pp. R8475-R8478 ◽  
Author(s):  
Despina Louca ◽  
T. Egami ◽  
E. L. Brosha ◽  
H. Röder ◽  
A. R. Bishop
Keyword(s):  
Neutron Diffraction ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Pulsed Neutron ◽  
Jahn Teller Distortion

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

2020 ◽  
Author(s):  
Marta L. Vidal ◽  
Michael Epshtein ◽  
Valeriu Scutelnic ◽  
Zheyue Yang ◽  
Tian Xue ◽  
...  
Keyword(s):  
High Harmonic ◽  
Open Shell ◽  
Spin Coupling ◽  
High Symmetry ◽  
Teller Distortion ◽  
Spectral Window ◽  
X Ray ◽  
Jahn Teller ◽  
X Ray Absorption ◽  
Jahn Teller Distortion

We report a theoretical investigation and elucidation of the x-ray absorption spectra of neutral benzene and of the benzene cation. The generation of the cation by multiphoton ultraviolet (UV) ionization as well as the measurement of<br>the carbon K-edge spectra of both species using a table-top high-harmonic generation (HHG) source are described in the companion experimental paper [M. Epshtein et al., J. Phys.<br>Chem. A., submitted. Available on ChemRxiv]. We show that the 1sC -> pi transition serves as a sensitive signature of the transient cation formation, as it occurs outside of the spectral window of the parent neutral species. Moreover, the presence<br>of the unpaired (spectator) electron in the pi-subshell of the cation and the high symmetry of the system result in significant differences relative to neutral benzene in the spectral features associated with the 1sC ->pi* transitions. High-level calculations using equation-of-motion coupled-cluster theory provide the interpretation of the experimental spectra and insight into the electronic structure of benzene and its cation.<br>The prominent split structure of the 1sC -> pi* band of the cation is attributed to the interplay between the coupling of the core -> pi* excitation with the unpaired electron<br>in the pi-subshell and the Jahn-Teller distortion. The calculations attribute most of<br>the splitting (~1-1.2 eV) to the spin coupling, which is visible already at the Franck-Condon structure, and estimate the additional splitting due to structural relaxation to<br>be around ~0.1-0.2 eV. These results suggest that x-ray absorption with increased resolution might be able to disentangle electronic and structural aspects of the Jahn-Teller<br>effect in benzene cation.<br>

Jahn-Teller Effect in Hexahydroxocuprate(II) Complexes

1995 ◽  
Vol 60 (9) ◽  
pp. 1429-1434
Author(s):  
Martin Breza
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Potential Surface ◽  
Hydroxyl Group ◽  
Chemical Calculation ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Extremal Values ◽  
Jahn Teller Distortion

Using semiempirical CNDO-UHF method the adiabatic potential surface of 2[Cu(OH)6]4- complexes is investigated. The values of vibration and vibronic constants for Eg - (a1g + eg) vibronic interaction attain extremal values for the optimal O-H distance. The Jahn-Teller distortion decreases with increasing O-H distance. The discrepancy between experimentally observed elongated bipyramid of [Cu(OH)6]4- in Ba2[Cu(OH)6] and the compressed one obtained by quantum-chemical calculation is explainable by hydrogen bonding of the axial hydroxyl group.

Unveiling the role of Mn-interstitial defect and particle size on the Jahn-Teller distortion of the LiMn2O4 cathode material

2021 ◽  
Vol 490 ◽  
pp. 229519
Author(s):  
Renier Arabolla Rodríguez ◽  
Nelcy Della Santina Mohallem ◽  
Manuel Avila Santos ◽  
Demetrio A. Sena Costa ◽  
Luciano Andrey Montoro ◽  
...  
Keyword(s):  
Particle Size ◽  
Cathode Material ◽  
Teller Distortion ◽  
Interstitial Defect ◽  
Jahn Teller ◽  
Limn2o4 Cathode ◽  
Jahn Teller Distortion

OBSERVATION OF THE ESR FOR HIGH-Tc SUPERCONDUCTORS Bi-Sr-Ca-Cu-O

1989 ◽  
Vol 03 (04) ◽  
pp. 355-359 ◽  
Author(s):  
S.L. YUAN ◽  
B.H. HOU ◽  
S.Z. JIN ◽  
W. WANG ◽  
G.G. ZHENG ◽  
...  
Keyword(s):  
Superconducting Transition ◽  
Teller Distortion ◽  
High Tc ◽  
Spin Resonance ◽  
Jahn Teller ◽  
Zero Resistance ◽  
Magnetic Ions ◽  
Preliminary Study ◽  
Perpendicular Component ◽  
Jahn Teller Distortion

The preliminary study on the electron spin resonance (ESR) for the Bi-Sr-Ca-Cu-O system with different superconducting transition temperatures has been made at room temperature. It is found that the Lande factor g-values are increased with increasing zero resistance temperature T c0 but width between peaks ΔH pp of the ESR spectrum decreased with increasing T c0 . These might be attributed to the spin-orbit coupling of the magnetic ions and the Jahn-Teller distortion in the perpendicular component.

Experimental Evidence for a Jahn-Teller Distortion in AuCl3

2005 ◽  
Vol 117 (41) ◽  
pp. 6904-6908 ◽  
Author(s):  
Ian J. Blackmore ◽  
Adam J. Bridgeman ◽  
Neil Harris ◽  
Mark A. Holdaway ◽  
John F. Rooms ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion
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