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Related papers: Machine Learning the order-disorder Jahn-Teller tr…

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The local atomic disorder and the electronic structure in the environment of manganese atoms in LaMnO_3 has been studied by x-ray absorption spectroscopy, over a temperature range (300K to 870K) covering the orbital ordering transition…

Strongly Correlated Electrons · Physics 2009-11-10 Raquel A. Souza , Narcizo M. Souza-Neto , Aline Y. Ramos , Helio C. N. Tolentino , Eduardo Granado

We present a revised atomistic picture of the order-disorder transition in the archetypal orbital-ordered perovskite material, LaMnO$_{3}$. Our study uses machine-learning-driven molecular-dynamics simulations which describe the temperature…

Materials Science · Physics 2025-10-30 Bodoo Batnaran , Andrew L. Goodwin , Michael A. Hayward , Volker L. Deringer

The local and intermediate structure of stoichiometric LaMnO$_3$ has been studied in the pseudocubic and rhombohedral phases at high temperatures (300 to 1150 K). Neutron powder diffraction data were collected and a combined Rietveld and…

Strongly Correlated Electrons · Physics 2009-11-10 Xiangyun Qiu , Th. Proffen , J. F. Mitchell , S. J. L. Billinge

We have studied the volume collapse of LaMnO$_3$ at the Jahn- Teller (JT) transition temperature T$_{JT}$=750 K which has recently been found in high temperature powder x- ray and neutron diffraction experiments. We construct a model…

Strongly Correlated Electrons · Physics 2009-11-10 T. Maitra , P. Thalmeier , T. Chatterji

We report on high-temperature electron spin resonance studies of a detwinned LaMnO$_3$ single crystal across the Jahn-Teller transition at $T_{\rm JT}$ = 750 K. The anisotropy of the linewidth and g-factor reflects the local Jahn-Teller…

Strongly Correlated Electrons · Physics 2015-06-22 S. Schaile , H. -A. Krug von Nidda , J. Deisenhofer , M. V. Eremin , Y. Tokura , A. Loidl

Jahn--Teller (JT) distortions are a key driver of physical properties in many correlated oxide materials. Cooperative JT distortions, in which long-range orbital order reduces the symmetry of the average structure macroscopically, are…

Strongly Correlated Electrons · Physics 2026-05-27 Liam A. V. Nagle-Cocco , Andrew L. Goodwin , Clare P. Grey , Siân E. Dutton

The Jahn-Teller distortive transition of \lmo is described by a modified 3-state Potts model. The interactions between the three possible orbits depends both on the orbits and their relative orientation on the lattice. Values of the two…

Strongly Correlated Electrons · Physics 2009-11-11 Mahrous R. Ahmed , G. A. Gehring

We observe two consecutive transitions in La1-xCaxMnO3, x=0.19: ferromagnetic ordering at Tc = 177 K and Jahn-Teller orbital ordering at T_JT = 150 K. The presence of a ferromagnetic insulating state below T_JT shows that the metallic phase…

Strongly Correlated Electrons · Physics 2007-05-23 Bas B. van Aken , Auke Meetsma , Thomas T. M. Palstra

We use the temperature of the structural phase transition to determine the Jahn-Teller (JT) coupling constant in the model derived for LaMnO$_3$ which includes both the superexchange between S=2 spins and the JT effect. We also investigate…

Strongly Correlated Electrons · Physics 2022-01-27 Olga Sikora , Andrzej M. Oles

Evolution of the average and local crystal structure of Ca-doped LaMnO$_{3}$ has been studied across the metal to insulator (MI) and the orthorhombic to rhombohedral (OR) structural phase transitions over a broad temperature range for two…

Strongly Correlated Electrons · Physics 2016-05-04 Mouath Shatnawi , Emil S. Bozin , J. F. Mitchell , Simon J. L. Billinge

We report a novel dielectric anomaly around the Jahn-Teller orbital order-disorder transition temperature T_JT in LaMnO_(3+delta). The transition has been characterized by resistivity (rho)versus temperature (T), calorimetry, and…

Strongly Correlated Electrons · Physics 2007-05-23 Parthasarathi Mondal , Dipten Bhattacharya , Pranab Choudhury

Below its Jahn--Teller transition temperature, $T_\mathrm{JT}$, NaNiO$_2$ has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO$_6$ and Jahn-Teller-distorted NiO$_6$ octahedra. Above $T_\mathrm{JT}$ where…

The origin of the cooperative Jahn-Teller distortion and orbital-order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong…

Strongly Correlated Electrons · Physics 2013-05-29 Eva Pavarini , Erik Koch

The functional properties of transition metal perovskite oxides are known to result from a complex interplay of magnetism, polarization, strain, and stoichiometry. Here, we show that for materials with a cooperative Jahn-Teller distortion,…

Materials Science · Physics 2021-01-04 Chiara Ricca , Nicolas Niederhauser , Ulrich Aschauer

LaTiO$_3$ is known as Mott-insulator which orders antiferromagnetically at $T_{\rm N}=146$ K. We report on results of thermal expansion and temperature dependent x-ray diffraction together with measurements of the heat capacity, electrical…

The longitudinal ultrasonic sound velocity and attenuation, the resistivity, and lattice parameters were studied as a function of temperature from 30 K to 300 K in La1-xCaxMnO3 (0.5<x<0.9). For all the samples, a dramatic stiffening of the…

Strongly Correlated Electrons · Physics 2009-11-07 X. G. Li , R. K. Zheng , G. Li , H. D. Zhou , R. X. Huang , J. Q. Xie , Z. D. Wang

Distortions of the oxygen sublattice couple to $e_g$ orbitals of Mn$^{3+}$ and drive a cooperative Jahn-Teller (orbital ordering) transition in LaMnO$_3$. A simple model for this transition is studied. Without further adjustment, the model…

Strongly Correlated Electrons · Physics 2009-10-31 Philip B. Allen , Vasili Perebeinos

LaMnO$_3$ is considered as a prototypical Jahn-Teller perovskite compound, exhibiting a metal to insulator transition at $T_{JT} = 750K$ related to the joint appearance of an electronic orbital ordering and a large lattice Jahn-Teller…

Strongly Correlated Electrons · Physics 2020-07-01 Michael Marcus Schmitt , Yajun Zhang , Alain Mercy , Philippe Ghosez

The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase…

Materials Science · Physics 2025-05-26 Ronald L. Kam , Luca Binci , Aaron D. Kaplan , Kristin A. Persson , Nicola Marzari , Gerbrand Ceder

The Jahn-Teller effect in the charge-ordered (CO) state for La1-xCaxMnO3 (0.5<x<0.87) was studied by measuring the low-temperature powder x-ray diffraction, internal friction, and shear modulus. We find that the electron-lattice interaction…

Strongly Correlated Electrons · Physics 2009-11-07 R. K. Zheng , R. X. Huang , A. N. Tang , G. Li , X. G. Li , J. N. Wei , J. P. Shui , Z. Yao
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