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Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory.
Kahk, J M; Poll, C G; Oropeza, F E; Ablett, J M; Céolin, D; Rueff, J-P; Agrestini, S; Utsumi, Y; Tsuei, K D; Liao, Y F; Borgatti, F; Panaccione, G; Regoutz, A; Egdell, R G; Morgan, B J; Scanlon, D O; Payne, D J.
Afiliação
  • Kahk JM; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Poll CG; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Oropeza FE; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Ablett JM; Synchrotron SOLEIL, L'Orme des Merisiers, BP 48 Saint-Aubin, 91192 Gif-sur-Yvette, France.
  • Céolin D; Synchrotron SOLEIL, L'Orme des Merisiers, BP 48 Saint-Aubin, 91192 Gif-sur-Yvette, France.
  • Rueff JP; Synchrotron SOLEIL, L'Orme des Merisiers, BP 48 Saint-Aubin, 91192 Gif-sur-Yvette, France.
  • Agrestini S; Max Planck Institute for Chemical Physics of Solids, Nöthnitzerstr. 40, 01187 Dresden, Germany.
  • Utsumi Y; Max Planck Institute for Chemical Physics of Solids, Nöthnitzerstr. 40, 01187 Dresden, Germany.
  • Tsuei KD; National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30077, Taiwan.
  • Liao YF; National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30077, Taiwan.
  • Borgatti F; Consiglio Nazionale delle Ricerche, Istituto per lo Studio dei Materiali Nanostrutturati (CNR-ISMN), via P. Gobetti n.101, I-40129 Bologna, Italy.
  • Panaccione G; Istituto Officina dei Materiali (IOM)-CNR, Laboratorio TASC, in Area Science Park, S.S.14, Km 163.5, I-34149 Trieste, Italy.
  • Regoutz A; Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Road, Oxford OX1 3TA, United Kingdom.
  • Egdell RG; Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Road, Oxford OX1 3TA, United Kingdom.
  • Morgan BJ; Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom.
  • Scanlon DO; University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, United Kingdom and Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, United Kingdom.
  • Payne DJ; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
Phys Rev Lett ; 112(11): 117601, 2014 Mar 21.
Article em En | MEDLINE | ID: mdl-24702416
The electronic structure of IrO2 has been investigated using hard x-ray photoelectron spectroscopy and density-functional theory. Excellent agreement is observed between theory and experiment. We show that the electronic structure of IrO2 involves crystal field splitting of the iridium 5d orbitals in a distorted octahedral field. The behavior of IrO2 closely follows the theoretical predictions of Goodenough for conductive rutile-structured oxides [J. B. Goodenough, J. Solid State Chem. 3, 490 (1971).
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Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Rev Lett Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Reino Unido
Buscar no Google
Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Rev Lett Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Reino Unido