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Anisotropy in the electronic structure of V2GeC investigated by soft x-ray emission spectroscopy and first-principles theory
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.ORCID iD: 0000-0002-0317-0190
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
Departamento de Física de la Tierra, Astronomía y Astrofísica I, Universidad Complutense de Madrid.
Department of Physics, Uppsala University.
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2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 78, no 035117Article in journal (Refereed) Published
Abstract [en]

Theanisotropy of the electronic structure of ternary nanolaminate V2GeC isinvestigated by bulk-sensitive soft x-ray emission spectroscopy. The measured polarization-dependentemission spectra of V L2,3, C K, Ge M1, and Ge M2,3 in V2GeCare compared with those from monocarbide VC and pure Ge.The experimental emission spectra are interpreted with calculated spectra usingab initio density-functional theory including dipole transition matrix elements. Differenttypes of covalent chemical bond regions are revealed: V 3d-C 2p bondingat −3.8  eV, Ge 4p-C 2p bonding at −6  eV, and Ge 4p-C 2s interaction mediatedvia the V 3d orbitals at −11  eV below the Fermi level.We find that the anisotropic effects are high for the4p valence states and the shallow 3d core levels ofGe, while relatively small anisotropy is detected for the V 3dstates. The macroscopic properties of the V2GeC nanolaminate result fromthe chemical bonds with the anisotropic pattern as shown inthis work.

Place, publisher, year, edition, pages
2008. Vol. 78, no 035117
Keyword [en]
ab initio calculations, band structure, bonds (chemical), density functional theory, Fermi level, germanium compounds, laminates, nanocomposites, vanadium compounds, X-ray emission spectra
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:liu:diva-17401DOI: 10.1103/PhysRevB.78.035117OAI: oai:DiVA.org:liu-17401DiVA: diva2:208996
Note

Original Publication:Martin Magnuson, Ola Wilhelmsson, Maurizio Mattesini, Sa Li, Rajeev Ahuja, Olle Eriksson, Hans Högberg, Lars Hultman and Ulf Jansson, Anisotropy in the electronic structure of V2GeC investigated by soft x-ray emission spectroscopy and first-principles theory, 2008, Physical Review B. Condensed Matter and Materials Physics, (78), 035117.http://dx.doi.org/10.1103/PhysRevB.78.035117Copyright: American Physical Societyhttp://www.aps.org/

Available from: 2009-03-23 Created: 2009-03-23 Last updated: 2016-08-31Bibliographically approved

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Publisher's full textX-ray spectroscopy using Sychrotron RadiationArXiVPRBMendeleyhttp://www.researchgate.net/publication/51968684_Anisotropy_in_the_electronic_structure_of_V2GeC_investigated_by_softx-ray_emission_spectroscopy_and_first-principles_theory

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Magnuson, MartinHögberg, HansHultman, Lars

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