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We present detailed ESR investigations on single crystals of the low-dimensional quantum magnet TiOCl. The anisotropy of the g-factor indicates a stable orbital configuration below room temperature, and allows to estimate the energy of the…

We present first principles density functional calculations and downfolding studies of the electronic and magnetic properties of the layered quantum spin system TiOCl. We discuss explicitely the nature of the exchange pathes and attempt to…

Strongly Correlated Electrons · Physics 2016-08-31 T. Saha-Dasgupta , Roser Valenti , H. Rosner , Claudius Gros

Temperature-dependent x-ray diffraction of the low-dimensional spin 1/2 quantum magnet TiOCl shows that the phase transition at T_{c2} = 90 K corresponds to a lowering of the lattice symmetry. Below T_{c1} = 66 K a twofold superstructure…

Materials Science · Physics 2009-11-11 M. Shaz , S. van Smaalen , L. Palatinus , M. Hoinkis , M. Klemm , S. Horn , R. Claessen

Electronic structure calculations on the low dimensional spin-1/2 compound TiOCl were performed at several pressures in the orthorhombic phase, finding that the structure is quasi-one-dimensional. The Ti3+ (d1) ions have one t2g orbital…

Strongly Correlated Electrons · Physics 2010-12-15 A. Piñeiro , V. Pardo , D. Baldomir , S. Blanco-Canosa , F. Rivadulla , J. E. Arias , J. Rivas

We combine high-resolution resonant inelastic x-ray scattering with cluster calculations utilizing a recently derived effective magnetic scattering operator to analyze the polarization, excitation energy, and momentum dependent excitation…

Charge ordering in the low-temperature triclinic structure of titanium oxide (Ti4O7) is investigated using the local density approximation (LDA)+U method. Although the total 3d charge separation is rather small, an orbital order parameter…

Strongly Correlated Electrons · Physics 2007-08-21 I. Leonov , A. N. Yaresko , V. N. Antonov , U. Schwingenschlögl , V. Eyert , V. I. Anisimov

The angular and temperature dependences of single crystal ESR spectra at X-band frequency of quasi 1D spin 1/2 antiferromagnetic zigzag chain system {\beta}-TeVO4 are reported. Two resonance components in the ESR spectrum have been…

Strongly Correlated Electrons · Physics 2013-11-25 Yu. Savina , A. Bludov , V. Pashchenko , S. Gnatchenko , A. Stepanov , P. Lemmens

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

MgV$_{2}$O$_{4}$ is a spinel based on magnetic V$^{3+}$ ions which host both spin ($S=1$) and orbital ($l_{eff}=1$) moments. Owing to the underlying pyrochlore coordination of the magnetic sites, the spins in MgV$_{2}$O$_{4}$ only…

Impurity-induced magnetic order has been observed in many quasi-1D systems including doped variants of the spin-Peierls system CuGeO3. TiOCl is another quasi-1D quantum magnet with a spin-Peierls ground state, and the magnetic Ti sites of…

Strongly Correlated Electrons · Physics 2015-05-27 A. A. Aczel , G. J. MacDougall , F. L. Ning , J. A. Rodriguez , S. R. Saha , F. C. Chou , T. Imai , G. M. Luke

We have studied the electronic structure of the spin-1/2 quantum magnet TiOCl by polarization-dependent momentum-resolved photoelectron spectroscopy. From that, we confirm the quasi-one-dimensional nature of the electronic structure along…

Strongly Correlated Electrons · Physics 2007-05-23 M. Hoinkis , M. Sing , J. Schaefer , M. Klemm , S. Horn , H. Benthien , E. Jeckelmann , T. Saha-Dasgupta , L. Pisani , R. Valenti , R. Claessen

In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…

Strongly Correlated Electrons · Physics 2007-05-23 Masahito Mochizuki , Masatoshi Imada

We determined the magnetic structure of CuCr$_2$O$_4$ using neutron diffraction and irreducible representation analysis. The measurements identified a new phase between 155 K and 125 K as nearly collinear magnetic ordering in the Cr…

Strongly Correlated Electrons · Physics 2018-03-20 K. Tomiyasu , S. Lee , H. Ishibashi , Y. Takahashi , T. Kawamata , Y. Koike , T. Nojima , S. Torii , T. Kamiyama

We derive a spin-orbital Hamiltonian for a triangular lattice of e_g orbital degenerate (Ni^{3+}) transition metal ions interacting via 90 degree superexchange involving (O^{2-}) anions, taking into account the on-site Coulomb interactions…

Strongly Correlated Electrons · Physics 2009-11-11 Albert J. W. Reitsma , Louis F. Feiner , Andrzej M. Oles'

In the layered quantum spin systems TiOCl and TiOBr the magnetic susceptibility shows a very weak temperature dependence at high temperatures and transition-induced phenomena at low temperatures. There is a clear connection of the observed…

Strongly Correlated Electrons · Physics 2010-03-09 P. Lemmens , K. Y. Choi , R. Valenti , T. Saha-Dasgupta , E. Abel , Y. S. Lee , F. C. Chou

We describe a variational theory of multi-band two-dimensional electron gases that captures the interplay between electrostatic confining potentials, orbital-dependent interlayer electronic hopping and electron-electron interactions, and…

Strongly Correlated Electrons · Physics 2017-05-10 John R. Tolsma , Marco Polini , Allan H. MacDonald

We studied temperature and magnetic field dependence of magnetization, $M(T)$ and $M(B)$, on thiospinel FeCr$_{2}$S$_{4}$. We observed a step-like anomaly at $T_{OO} \sim$ 9 K for $M$($T$) attributed to an orbital order transition in…

Strongly Correlated Electrons · Physics 2015-05-28 Masakazu Ito , Yuji Nagi , Naotoshi Kado , Shinpei Urakawa , Takuro Ogawa , Akihiro Kondo , Keiichi Koyama , Kazuo Watanabe , Koichi Kindo

We have studied the electronic structure of BaCoO$_3$ using soft x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, magnetic circular dichroism at the Co-$L_{2,3}$ edges, as well as valence band hard x-ray photoelectron…

The dynamical properties of free and bound domain-wall excitations in Ising-chain materials have recently become the focus of intense research interest. New materials and spectrometers have made it possible to control the environment of…

We have studied properties of the one-3d-electron cation (Ti 3+, V 4+ ions) under the action of the low-symmetry crystal field in the presence of the spin- orbit coupling. Very anomalous temperature dependences of the magnetic…

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