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The electronic structure of the single molecule magnet system M[Fe(L)2]3*4CHCl3 (M=Fe,Cr; L=CH3N(CH2CH2O)2) has been studied using X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, soft X-ray emission spectroscopy, and…

The spin-lattice coupling plays an important role in strongly frustrated magnets. In ZnCr$_2$O$_4$, an excellent realization of the Heisenberg antiferromagnet on the ``pyrochlore'' network, a lattice distortion relieves the geometrical…

Strongly Correlated Electrons · Physics 2009-11-10 A. B. Sushkov , H. D. Drew , O. Tchernyshyov , W. Ratcliff , S. W. Cheong

We present a theoretical investigation of the electronic and magnetic structure of spinel CdCr_2Te_4 using density functional theory, its extensions via onsite Hubbard U interactions, and a screened-hybrid-functional exchange potential. We…

Materials Science · Physics 2013-11-12 Hunter Sims , Karthik Ramasamy , William H. Butler , Arunava Gupta

We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-density and generalized-gradient approximations to exchange and…

Condensed Matter · Physics 2009-10-31 J. E. Pask , D. J. Singh , I. I. Mazin , C. S. Hellberg , J. Kortus

The spinel MnV_2O_4 is a two-sublattice ferrimagnet, with site A occupied by the Mn^{2+} ion and site B by the V^{3+} ion. The magnon of the system, the transversal fluctuation of the total magnetization, is a complicated mixture of the…

Strongly Correlated Electrons · Physics 2009-11-13 Naoum Karchev

We present a coordinated study of the paramagnetic-to-antiferromagnetic, rhombohedral-to-monoclinic, and metal-to-insulator transitions in thin-film specimens of the classic Mott insulator V$_2$O$_3$ using low-energy muon spin relaxation,…

Electronic structures of multiferroic RMnO$_3$ (R=Y, Er) have been investigated by employing photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). We have found that Mn ions in RMnO$_3$ are in the trivalent high-spin…

Materials Science · Physics 2007-05-23 J. -S. Kang , S. W. Han , J. -G. Park , S. C. Wi , S. S. Lee , G. Kim , H. J. Song , H. J. Shin , W. Jo , B. I. Min

The electronic structure of layered Sr$_{3}$Ru$_{2}$O$_{7}$ in its orthorhombic structure is investigated using density functional calculations. The band structure near the Fermi energy, consists of Ru $% t_{2g}$ states hybridized with O…

Superconductivity · Physics 2009-10-31 D. J. Singh , I. I. Mazin

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

The $A$-site spinel NiRh$_2$O$_4$ is the only known realization of a spin-1 diamond lattice magnet and is predicted to host unconventional magnetic phenomena driven by frustrated nearest and next-nearest neighbor exchange as well as orbital…

Strongly Correlated Electrons · Physics 2022-08-10 B. Zager , J. R. Chamorro , L. Ge , V. Bisogni , J. Pelliciari , J. Li , G. Fabbris , T. M. McQueen , M. Mourigal , K. W. Plumb

We report the magnetic properties of $A$-site spinel compound MnSc$_2$Se$_4$. The macroscopic magnetic measurements uncovers successive magnetic transitions at $T_{\rm{N1}}$= 2.04 K, followed by two further transitions at $T_{\rm{N2}}$=1.8…

Strongly Correlated Electrons · Physics 2022-06-01 K. Guratinder , V. Tsurkan , L. Prodan , L. Keller , J. P. Embs , F. Juranyi , M. Medarde , Ch. Rüegg , O. Zaharko

Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…

Materials Science · Physics 2020-03-27 Tanmay Das , Sesha Vempati

The structure and magnetic properties of Mn1+xV2-xO4 (0<x<=1), a complex frustrated system, were investigated by heat capacity, magnetization, x-ray diffraction, and neutron diffraction measurements. For x<=0.3, a cubic-to-tetragonal (c >…

Strongly Correlated Electrons · Physics 2020-10-07 J. L. Jiao , H. P. Zhang , Q. Huang , W. Wang , G. Wang , Q. Ren , R. Sinclair , G. T. Lin , A. Huq , H. Cao , H. D. Zhou , M. Z. Li , J. Ma

We have investigated the electronic structure of the $p$-type diluted magnetic semiconductor In$_{1-x}$Mn$_x$As by photoemission spectroscopy. The Mn 3$d$ partial density of states is found to be basically similar to that of…

Materials Science · Physics 2016-08-31 J. Okabayashi , T. Mizokawa , D. D. Sarma , A. Fujimori , T. Slupinski , A. Oiwa , H. Munekata

A comprehensive investigation of the electronic and magnetic properties of NaOsO3 has been made using the first principle calculations, in order to understand the importance of Coulomb interaction, spin-orbit coupling and magnetic order in…

Strongly Correlated Electrons · Physics 2012-05-17 Yongping Du , Xiangang Wan , Li Sheng , Jinming Dong , Sergey Y. Savrasov

Below its N\'eel temperature, the frustrated magnet CdCr$_2$O$_4$ exhibits an antiferromagnetic spin-spiral ground state. Such states can give rise to a sizable magnetoelectric coupling. In this report, we measure the electric polarization…

Materials Science · Physics 2020-07-15 L. Rossi , D. Brüning , H. Ueda , Y. Skourski , T. Lorenz , B. Bryant

We have attributed magnetism and electronic structure of V2O3 to the V3+ ions. We claim that the V3+ ion in V2O3 should be considered as described by the quantum numbers S=1 and L=3. Such quantum numbers result from two Hund's rules. The…

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

The aim of this work is to unravel a basic microscopic picture behind complex magnetic properties of hexagonal manganites. For these purposes, we consider two characteristic compounds: YMnO3 and LuMnO3, which form different magnetic…

Materials Science · Physics 2012-08-10 I. V. Solovyev , M. V. Valentyuk , V. V. Mazurenko

We investigate the spin-stripe mechanism responsible for the peculiar nanometer modulation of the incommensurate magnetic order that emerges between the vector-chiral and the spin-density-wave phase in the frustrated zigzag spin-1/2 chain…

Strongly Correlated Electrons · Physics 2016-08-31 M. Pregelj , O. Zaharko , M. Herak , M. Gomilsek , A. Zorko , L. C. Chapon , F. Bourdarot , H. Berger , D. Arčon

The phase stability of the MgMn2O4 spinel has been studied by means of high-pressure X-ray diffraction for pressures up to 30 GPa. Two samples with different inversion degrees have been considered. Both spinels undergo a phase transition…

Materials Science · Physics 2009-11-10 Lorenzo Malavasi , Cristina Tealdi , Monica Amboage , M. Cristina Mozzati , Giorgio Flor