Crusical role of Jahn–Teller distortions in stabilizing magnetic ordering in insulating manganite phases

2001 ◽  
Author(s):  
S. Fratini
Keyword(s):  
Magnetic Ordering ◽  
Jahn Teller

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

JAHN-TELLER EFFECT OF MOLECULAR COMPLEXES IN LIQUID SOLUTIONS

1994 ◽  
Vol 08 (21n22) ◽  
pp. 1319-1334 ◽  
Author(s):  
J.W. HALLEY ◽  
X.R. WANG
Keyword(s):  
Quantum Coherence ◽  
Berry Phase ◽  
Molecular Complexes ◽  
Liquid Solution ◽  
Teller Effect ◽  
Liquid Systems ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Molecular Dynamics Methods

We review recent work clarifying the sense in which the Jahn-Teller effect can exist in a molecular complex in liquid solution. We review the molecular dynamics methods for modeling such liquid systems using the cupric ion in aqueous solution as an example. We review the experimental evidence for the Jahn-Teller effect in liquids, emphasizing the importance of taking the time scale of the measurement into account. Finally we discuss the role of quantum coherence and the Berry phase in the Jahn-Teller effect.

ROLE OF THE ELECTRON–PHONON INTERACTION ON THE SPECTRAL DENSITY AND PSEUDOGAP IN CUPRATES

2002 ◽  
Vol 16 (23) ◽  
pp. 3465-3471
Author(s):  
I. CHAUDHURI ◽  
S. K. GHATAK
Keyword(s):  
Critical Temperature ◽  
Spectral Density ◽  
Low Energy ◽  
Phonon Interaction ◽  
Energy Excitation ◽  
Electron Phonon Interaction ◽  
Peak Structure ◽  
Electronic Model ◽  
Jahn Teller

The pseudogap structure in low energy excitation in cuprates appears below a temperature and the spectral density exhibits strong wave-vector dependence. An electronic model that emphasized the coupling of carrier in Cu-O with phonon is examined for pseudogap. The electron–phonon interaction originates from the modulation of on-site and hopping energy and leads to spontaneous Jahn–Teller-like distortion and pseudogap below a critical temperature. At low temperature the spectral density has two-peak structure about the Fermi level for all k along Γ-M whereas such structure exists along Γ-X for small k only. The magnitude of pseudogap shows strong k-dependence — maximum along Γ-M and vanishes along Γ-X. These features emphasize the role of electron–phonon interaction in formation of pseudogap.

scholarly journals f-Electron and Magnetic Ordering Effects in Nickelates LaNiO2 and NdNiO2: Remarkable Role of The Cuprate-Like 3dx2-y2 Band

2020 ◽  
Author(s):  
Jianwei Sun ◽  
Ruiqi Zhang ◽  
Christopher Lane ◽  
Bahadur Singh ◽  
Johannes Nokelainen ◽  
...  
Keyword(s):  
Ground State ◽  
Exchange Coupling ◽  
Density Functional ◽  
High Temperature Superconductivity ◽  
Parent Compound ◽  
Magnetic Ordering ◽  
Striking Similarity ◽  
Infinite Layer ◽  
Open Questions

Abstract Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed interest in understanding the nature of high-temperature superconductivity more generally. The low-energy electronic structure of the parent compound NdNiO2, the role of electronic correlations in driving superconductivity, and the possible relationship betweeen the cuprates and the nickelates are still open questions. Here, by comparing LaNiO2 and NdNiO2 systematically within a parameter free density functional framework, all-electron first-principles framework, we reveal the role Nd 4f-electrons in shaping the ground state of pristine NdNiO2. Strong similarities are found between the electronic structures of LaNiO2 and NdNiO2, except for the effects of the 4f-electrons. Hybridization between the Nd 4f and Ni 3d orbitals is shown to significantly modify the Fermi surfaces of various magnetic states. In contrast, the competition between the magnetically ordered phases depends mainly on the gaps in the Ni dx2-y2 band, so that the ground state in LaNiO2 and NdNiO2 turns out to be striking similarity to that of the cuprates. The d - p band-splitting is found to be much larger while the intralayer 3d ion-exchange coupling is smaller in the nickelates compared to the cuprates. Our estimated value of the on-site Hubbard U is similar to that in the cuprates, but the value of the Hund's coupling JH is found to be sensitive to the Nd magnetic moment. The exchange coupling J in NdNiO2 is only half as large as in the curpates, which may explain why Tc in the nickelates is half as large as the cuprates.

scholarly journals Magnetic ordering of itinerant systems: the role of kinetic interactions

2004 ◽  
Vol 344 (1-4) ◽  
pp. 231-242 ◽  
Author(s):  
Grzegorz Górski ◽  
Jerzy Mizia
Keyword(s):  
Magnetic Ordering
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