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Related papers: Orbital ordering in cubic LaMnO3 from first princi…

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Charge ordering with structural distortion in quasi-two-dimensional organic conductors \theta-(ET)2RbZn(SCN)4 (ET=BEDT-TTF) and \alpha-(ET)2I3 is investigated theoretically. By using the Hartree-Fock approximation for an extended Hubbard…

Strongly Correlated Electrons · Physics 2010-02-10 Yasuhiro Tanaka , Kenji Yonemitsu

Incommensurate (IC) charge-order (CO) and spin density wave (SDW) order in electron doped SrMn1-xWxO3-{\delta} (x= 0.08 to 0.1875) have been studied using neutron diffraction.The study highlights the drastic effect of electron doping on the…

Materials Science · Physics 2019-07-04 Poonam Yadav , Shivani Sharma , Aga Shahee , Ivan da Silva , Vaclav Petricek , N P Lalla

We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density…

Strongly Correlated Electrons · Physics 2013-05-29 E. R. Ylvisaker , R. R. P. Singh , W. E. Pickett

There have been recent reports of charge ordering around $x=0.5$ in the bilayer manganites. At $x=0.5$, there appears to be a coexistence region of layered A-type antiferromagnetc and charge order. There are also reports of orbital order in…

Strongly Correlated Electrons · Physics 2009-11-11 T. Maitra , A. Taraphder , H. Beck

Synchrotron x-ray scattering measurements of the low-temperature structure of the single-layer manganese oxide La$_{1-x}$Sr$_{1+x}$MnO$_4$, over the doping range $0.33 \le x \le 0.67$, indicate the existence of three distinct regions: a…

Strongly Correlated Electrons · Physics 2009-11-07 S. Larochelle , A. Mehta , N. Kaneko , P. K. Mang , A. F. Panchula , L. Zhou , J. Arthur , M. Greven

Long range orbital order has been investigated in Fe$_{1-x}$Mn$_x$V$_2$O$_4$ as a function of doping (x) using first principles density functional theory calculations including the effects of Coulomb correlation and spin-orbit interaction…

Strongly Correlated Electrons · Physics 2016-05-25 Dibyendu Dey , T. Maitra , A. Taraphder

We present electron spin resonance data of Ti$^{3+}$ (3$d^1$) ions in single crystals of the novel layered quantum spin magnet TiOCl. The analysis of the g tensor yields direct evidence that the d_{xy} orbital from the t_{2g} set is…

Strongly Correlated Electrons · Physics 2009-11-10 V. Kataev , J. Baier , A. Moeller , L. Jongen , G. Meyer , A. Freimuth

Based on density functional calculations, we report on the orbital order and microscopic magnetic model of FeNCN, a prototype compound for orbital-only models. Despite having a similar energy scale, the spin and orbital degrees of freedom…

Strongly Correlated Electrons · Physics 2011-06-21 Alexander A. Tsirlin , Klaus Koepernik , Helge Rosner

At low temperatures, some lattice spin models with simple ferromagnetic or antiferromagnetic interactions (for example nearest-neighbour interaction being isotropic in spin space on a bipartite three-dimensional lattice) produce…

Statistical Mechanics · Physics 2014-09-16 H. Chamati , S. Romano

The ability to tune magnetic orders, such as magnetic anisotropy and topological spin texture, is desired in order to achieve high-performance spintronic devices. A recent strategy has been to employ interfacial engineering techniques, such…

We report resonant x-ray scattering data of the orbital and magnetic ordering at low temperatures at the Mn $L_{\rm 2,3}$ edges in \lsmo. The orderings display complex energy features close to the Mn absorption edges. Systematic modeling…

The magnetic and orbital orders for the bilayer manganites in the doping region $0.5 < x <1.0$ have been investigated from a model that incorporates the two $e_g$ orbitals at each Mn site, the inter-orbital Coulomb interaction and lattice…

Strongly Correlated Electrons · Physics 2009-11-10 Tulika Maitra , A. Taraphder

The standard way to find the orbital occupation of Jahn-Teller (JT) ions is to use structural data, with the assumption of a one-to-one correspondence between the orbital occupation and the associated JT distortion, e.g. in O6 octahedron.…

Strongly Correlated Electrons · Physics 2011-10-19 Hua Wu , C. F. Chang , O. Schumann , Z. Hu , J. C. Cezar , T. Burnus , N. Hollmann , N. B. Brookes , A. Tanaka , M. Braden , L. H. Tjeng , D. I. Khomskii

Three fundamentally different electronic structures for 3d electron states in LaCoO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic- like approach that yields the discrete energy…

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

Quantum phase transitions in the two-dimensional Kugel-Khomski model on a square lattice are studied using the plaquette mean field theory and the entanglement renormalization ansatz. When $3z^2-r^2$ orbitals are favored by the crystal…

Strongly Correlated Electrons · Physics 2012-12-06 Wojciech Brzezicki , Jacek Dziarmaga , Andrzej M. Oleś

We investigate the nature of the ordered phase and the orientational correlations between adjacent layers of the confined three-dimensional self-assembled rigid rod model, on the cubic lattice. We find that the ordered phase at finite…

Statistical Mechanics · Physics 2015-06-05 N. G. Almarza , J. M. Tavares , M. M. Telo da Gama

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

Phase transition and critical properties of Ising-like spin-orbital interacting systems in 2-dimensional triangular lattice are investigated. We first show that the ground state of the system is a composite spin-orbital ferro-ordered phase.…

Statistical Mechanics · Physics 2009-11-13 Huai-Bao Tang , Dong-Meng Chen , Xiang-Fei Wei , Liang-Jian Zou

Using local density approximation (LDA) calculations we predict GdFeO$_3$-like rotation of TiO$_6$ octahedra at the $n$-type interface between LaAlO$_3$ and SrTiO$_3$. The narrowing of the Ti $d$ bandwidth which results means that for very…

Materials Science · Physics 2008-09-10 Zhicheng Zhong , Paul J. Kelly

Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…

Strongly Correlated Electrons · Physics 2017-04-05 B. G. Ganga , P. N. Santhosh , B. R. K. Nanda