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Combining density-functional theory calculations and microscopic tight-binding models, we investigate theoretically the electronic and magnetic properties of individual substitutional transition-metal impurities (Mn and Fe) positioned in…

Materials Science · Physics 2014-04-18 M. R. Mahani , M. Fhokrul Islam , A. Pertsova , C. M. Canali

The electronic structure of Fe impurity in MgO was calculated by the linear muffin-tin orbital--full-potential method within the conventional local-density approximation (LDA) and making use of the LDA+$U$ formalism. The importance of…

Condensed Matter · Physics 2009-10-22 M. Korotin , A. Postnikov , T. Neumann , G. Borstel , V. Anisimov , M. Methfessel

Resonant soft x-ray diffraction has been used to probe the temperature dependent orbital and magnetic structure of $\mathrm{LaSr_{2}Mn_{2}O_7}$. Previous crystallographic studies have shown that this material has almost no MnO$_{6}$ oxygen…

Strongly Correlated Electrons · Physics 2007-05-23 S. B. Wilkins , N. Stojic , T. A. W. Beale , N. Binggeli , P. Bencok , S. Stanescu , J. F. Mitchell , P. Abbamonte , P. D. Hatton , M. Altarelli

We report the bulk sensitive Hard X-ray (hv=5.95keV) core level photoemission spectroscopy to investigate the intrinsic electronic structure of strained (La0.85Ba0.15)MnO3 thin films. In a 20nm thick well-strained film with strongly…

A method to calculate the effective spin Hamiltonian for a transition metal impurity in a non- magnetic insulating host is presented and applied to the paradigmatic case of Fe in MgO. In a first step we calculate the electronic structure…

Mesoscale and Nanoscale Physics · Physics 2015-04-03 Alejandro Ferrón , Fernando Delgado , Joaquín Fernández-Rossier

We have studied the local electronic structure of LaMn0.5Co0.5O3 using soft-x-ray absorption spectroscopy at the Co-L_3,2 and Mn-L_3,2 edges. We found a high-spin Co^{2+}--Mn^{4+} valence state for samples with the optimal Curie…

Strongly Correlated Electrons · Physics 2008-03-18 T. Burnus , Z. Hu , H. H. Hsieh , V. L. J. Joly , P. A. Joy , M. W. Haverkort , Hua Wu , A. Tanaka , H. -J. Lin , C. T. Chen , L. H. Tjeng

We investigated structural, magnetic and electrical properties of sputter deposited Mn-Fe-Ga compounds. The crystallinity of the Mn-Fe-Ga thin films was confirmed using x-ray diffraction. X-ray reflection and atomic force microscopy…

Materials Science · Physics 2016-08-02 Alessia Niesen , Christian Sterwerf , Manuel Glas , Jan-Michael Schmalhorst , Günter Reiss

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

X-ray absorption near-edge and grazing incidence X-ray fluorescence spectroscopy are employed to investigate the electronic structure of ZnFe$_{2}$O$_{4}$ thin films. The spectroscopy techniques are used to determine the non-equilibrium…

Materials Science · Physics 2015-05-28 C. E. Rodríguez Torres , F. Golmar , M. Ziese , P. Esquinazi , S. P. Heluani

The electronic structure of pulsed laser deposited Mo1-xFexO2 (x=0, 0.02 and 0.05) thin films has been investigated using resonant photoemission spectroscopy near Mo-4p absorption edge. In all the samples a broad Fano- like resonance peak…

Materials Science · Physics 2008-08-11 Ram Prakash , R. J Choudhary , D. M. Phase

Electronic and structural properties of ultrathin MgO layers grown on epitaxial Fe(110) films were investigated at room temperature by means of spin-resolved photoelectron spectroscopy, Auger-electron spectroscopy, and low energy electron…

Materials Science · Physics 2007-05-23 Yu. S. Dedkov , M. Fonin , U. Rüdiger , G. Güntherodt

We fabricated NiFe2O thin films on MgAl2O4 (001) substrates by reactive dc magnetron co-sputtering in a pure oxygen atmosphere at different substrate temperatures. The film properties were investigated by various techniques with a focus on…

The effects of Fe-ion irradiation on the crystal structure and superconducting properties of MgB$_2$ thin films were investigated. Pristine samples were prepared using hybrid physical-chemical vapor deposition (HPCVD), and ion irradiation…

The structural distortions, orbital correlations, and electronic states in cobalt ferrite (CoFe2O4) were investigated using complementary characterisation techniques, including SR-XRD, HAXPES, XANES, EXAFS, and Raman spectroscopy. SR-XRD…

The electronic structure of the low-temperature (LT) monoclinic magnetite, Fe3O4, is investigated using the local spin density approximation (LSDA) and the LSDA+U method. The self-consistent charge ordered LSDA+U solution has a pronounced…

Strongly Correlated Electrons · Physics 2007-05-23 I. Leonov , A. N. Yaresko , V. N. Antonov , V. I. Anisimov

Multiferroic bismuth ferrite (BiFeO3) thin films were prepared by pulsed laser deposition (PLD) technique. Electronic structures of the film have been studied by in situ photoemission spectroscopy (PES) and x-ray absorption spectroscopy…

Ternary transition-metal nitrides with layered crystal structures host anisotropic bonding and reduced dimensionality that may enable unconventional electronic and magnetic behavior. Yet, synthesis of such nitride thin films remains…

The electronic structures of multiferroic oxides of Ba(1-x)Bi(x)Ti(0.9)Fe(0.1)O(3) (0 < x < 0.12) have been investigated by employing photoemission spectroscopy and soft x-ray absorption spectroscopy (XAS). The measured Fe and Ti 2p XAS…

Materials Science · Physics 2016-09-21 Hyun Woo Kim , D. H. Kim , Eunsook Lee , Seungho Seong , Deok Hyeon Kim , B. W. Lee , Y. Ko , J. -Y. Kim , J. -S. Kang

The electronic structure of La0.8Sr0..2MnO3/SrTiO thin film, which was prepared by Laser MBE, was studied by X-ray photoemission spectra (XPS) in the temperature interval of 300 to 1000 K. Experimental results showed that the electronic…

Strongly Correlated Electrons · Physics 2007-05-23 Guotai Tan , S. Dai , P. Duan , H. B. Lu , K. Xie , Y. L. Zhou , Z. H. Chen

We investigate the growth of thin Fe layers on MgAl$_2$O$_4$~(001) and MgO~(001) substrates using dc magnetron sputtering. The crystal quality of Fe layers deposited on MgAl$_2$O$_4$ is found to be substantially higher as compared to Fe…

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