The impact of morphotropy and polymorphism on electric properties of manganites: the case of Sr0.5Ca0.5Mn1−xVxO3−δ

2020 ◽  
Vol 8 (32) ◽  
pp. 16497-16505 ◽  
Author(s):  
Ekaterina I. Konstantinova ◽  
Ilia A. Leonidov ◽  
Alexey A. Markov ◽  
Rina F. Samigullina ◽  
Andrey V. Chukin ◽  
...  
Keyword(s):  
Electric Properties ◽  
Charge Carriers ◽  
Teller Distortion ◽  
Energy Parameters ◽  
Mobility Of Charge Carriers ◽  
Jahn Teller ◽  
Doped Manganites ◽  
The Impact ◽  
The Relationship ◽  
Jahn Teller Distortion

Unraveling the relationship between temperature, concentration of donor ions, the Jahn–Teller distortion of MnO6 octahedra and energy parameters which define the formation and mobility of charge carriers in electron-doped manganites.

MICROSCOPIC APPROACH TO ELECTRON–PHONON INTERACTION PHYSICS IN HALF-DOPED MANGANITES

2001 ◽  
Vol 15 (27) ◽  
pp. 3529-3537 ◽  
Author(s):  
SUDHAKAR YARLAGADDA
Keyword(s):  
Two Dimensions ◽  
Antiferromagnetic Coupling ◽  
Orbital Ordering ◽  
Microscopic Approach ◽  
Teller Distortion ◽  
Electron Phonon Interaction ◽  
Spin Ordering ◽  
Jahn Teller ◽  
Doped Manganites ◽  
Jahn Teller Distortion

We present a microscopic picture of charge, orbital, and spin ordering in manganites at 50% doping by considering Jahn–Teller interaction. For spinless fermions, in two-dimensions and at 50% doping, we show that Jahn–Teller distortion and charge-orbital ordering occur simultaneously with the system in an essentially orbitally polarized state of dx2-y2 orbitals. Upon including spin degree of freedom, for small antiferromagnetic coupling, we obtain CE-type ordering.

scholarly journals Colossal magnetoresistance and anomalous Hall effect in nonmagnetic semiconductors

2018 ◽  
Vol 185 ◽  
pp. 06011
Author(s):  
Sergei Obukhov ◽  
Tatiana Panysheva
Keyword(s):  
Magnetic Field ◽  
Colossal Magnetoresistance ◽  
Anomalous Hall Effect ◽  
Uniaxial Stress ◽  
Charge Carriers ◽  
Teller Distortion ◽  
Excitonic Insulator ◽  
Jahn Teller ◽  
Magnetic Ions ◽  
Jahn Teller Distortion

Colossal Magnetoresistance (CMR) in nonmagnetic semiconductors and magnetic materials has been investigated as a function of magnetic field, charge carriers concentration and temperature. Both types of materials demonstrated qualitative and quantitative coincidence of CMR dependence on magnetic field, charge carriers concentration and temperature. The findings support the CMR interpretation in the framework of the Excitonic Insulator (EI) model and transition of an insulating EI phase to conducting state under magnetic field for all types of materials under study. It is suggested that Jahn-Teller distortion caused by magnetic ions and external uniaxial stress could initiate EI phase formation

Ab initio investigation of Jahn–Teller-distortion-tuned Li-ion migration in λ-MnO2

2017 ◽  
Vol 5 (20) ◽  
pp. 9618-9626 ◽  
Author(s):  
Fanghua Ning ◽  
Bo Xu ◽  
Jing Shi ◽  
Haibin Su ◽  
Musheng Wu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ion Migration ◽  
Teller Distortion ◽  
Migration Barriers ◽  
Jahn Teller ◽  
Li Ion ◽  
The Relationship ◽  
Jahn Teller Distortion

The relationship between the Jahn–Teller distortions and the migration barriers is established in λ-MnO2.

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
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