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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

LiNiO2 is a promising cathode material for Li-ion battery but its atomic and electronic structure is under debate. Indeed, two sets of Ni-O distances are identified from local structural probes that are related with either Jahn-Teller…

We report the systematic synthesis, crystal structure, magnetization, and powder neutron diffraction of single crystalline and polycrystalline CaCo$_2$TeO$_6$ samples. CaCo$_2$TeO$_6$ crystallizes in an orthorhombic structure with $Pnma$…

Strongly Correlated Electrons · Physics 2025-05-19 Xing Huang , Peiyue Ma , Mengwu Huo , Chaoxin Huang , Hualei Sun , Xiang Chen , Sihao Deng , Lunhua He , Tao Xie , Zhangzhen He , Meng Wang

Local structure of the Fe-doped La$_{1-x}$Ca$_{x}$MnO$_{3}$ (x=0.00-1.00) compounds has been investigated by means of M\"{o}ssbauer spectroscopy. $^{57}$Fe M\"{o}ssbauer spectra provide a direct evidence of Jahn-Teller distortion in these…

Structural, magnetic, and dielectric properties of Sm$_2$CoMnO$_6$ have been studied. X-ray diffraction and Rietveld analysis show that the sample crystallizes in the monoclinic structure with \textit{P2$_1$/n} space group. Magnetic study…

Strongly Correlated Electrons · Physics 2020-04-29 Ilyas Noor Bhatti , Imtiaz Noor Bhatti , Rabindra Nath Mahato , M. A. H. Ahsan

Eu1-xYxMnO3 exhibits, unlike other magnetoelectric systems, very distinctive features. Its magnetoelectric properties is driven by the magnetic spin of the Mn3+ ion, but they can be drastically changed by varying the content of Y3+, which…

Strongly Correlated Electrons · Physics 2015-05-14 J. Agostinho Moreira , A. Almeida , W. S. Ferreira , M. R. Chaves , B. Kundys , R. Ranjith , W. Prellier , S. M. F. Vilela , P. B. Tavares

In contrary to customarily consideration of the Jahn-Teller theorem for 3d-ion compounds in the orbital space only we point out that it has to be considered in the spin-orbital space. It is despite the weakness of the intraatomic spin-orbit…

Strongly Correlated Electrons · Physics 2007-05-23 R. J. Radwanski , Z. Ropka

Noncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing…

Impurity ions with orbitally degenerate ground electronic configuration embedded in metals are subjects to both the Kondo effect and the Jahn-Teller instability. While increasing the Jahn-Teller coupling, one passes, from the region of…

Condensed Matter · Physics 2008-02-03 Alexander O. Gogolin

Mn$_3$Si$_2$Te$_6$ is a rare example of a layered ferrimagnet. It has recently been shown to host a colossal angular magnetoresistance as the spin orientation is rotated from the in- to out-of-plane direction, proposed to be underpinned by…

Layered perovskites $A_3M_2$O$_7$ are known to exhibit the so-called hybrid improper ferroelectricity. Despite experimentally confirmed cases (e.g. nonmagnetic $M$=Ti and Sn), the ferroelectricity in magnetic Ca$_3$Mn$_2$O$_7$ remains a…

The incompatibility of partial d occupation on the perovskite B-site with the standard charge transfer mechanism for ferroelectricity has been a central paradigm in multiferroics research. Nevertheless, it was recently shown by density…

Materials Science · Physics 2013-05-29 Claude Ederer , Tim Harris , Roman Kovacik

We report inelastic neutron scattering measurements over 7-1251 K in CaMnO3 covering various phase transitions, and over 6-150 K in PrMnO3 covering the magnetic transition. The excitations around 20 meV in CaMnO3 and at 17 meV in PrMnO3 are…

Materials Science · Physics 2016-06-29 S. K. Mishra , M. K. Gupta , R. Mittal , A. I. Kolesnikov , S. L. Chaplot

A theoretical description of the sequence of magnetic phases in Co3TeO6 is presented. The strongly first-order character of the transition to the commensurate multiferroic ground state, induced by coupled order parameters corresponding to…

Strongly Correlated Electrons · Physics 2012-07-06 Pierre Tolédano , Vera Carolus , Matthias Hudl , Thomas Lottermoser , Dmitry D. Khalyavin , Sergey A. Ivanov , Manfred Fiebig

Jahn-Teller (JT) electron-phonon coupling effects in the colossal magnetoresistance perovskite compounds $La_{1-x}A_xMnO_3$ are investigated. Electron-electron correlations between two degenerate Mn $e_g$ orbitals are studied in the…

Condensed Matter · Physics 2009-10-28 Jun Zang , A. R. Bishop , H. Roder

We argue that the Jahn-Teller theorem, if applied to 3d-ion compounds, has to be considered in the orbital+spin space. It is despite of the weakness of the intraatomic spin-orbit coupling.

Strongly Correlated Electrons · Physics 2008-10-08 Z. Ropka , R. J. Radwanski

The interplay between magnetic order and electronic topology in van der Waals materials enables extreme responses to external stimuli. The nodal-line semiconductor Mn3Si2Te6 exemplifies this, exhibiting colossal angular magnetoresistance…

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

To understand the collinear-magnetism-driven ferroelectricity in multiferroic Ca3CoMnO6 compound, we have established an elastic diatomic Ising spin-chain model with axial-next-nearest-neighbor interaction to describe its magnetoelectric…

Statistical Mechanics · Physics 2016-03-23 Yan Qi , Qi Yang , Nai-sen Yu , An Du

We report a single crystal neutron and x-ray diffraction study of the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7 (CMTO), a prototypical system where the electric polarization arises from the condensation of two lattice distortion…

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