Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101749
Title: Fundamental crystal field excitations in magnetic semiconductor SnO2: Mn, Fe, Co, Ni
Authors: Leedahl, B.
McCloskey, D. J.
Boukhvalov, D. W.
Zhidkov, I. S.
Kukharenko, A. I.
Kurmaev, E. Z.
Cholakh, S. O.
Gavrilov, N. V.
Brinzari, V. I.
Moewes, A.
Issue Date: 2019
Publisher: Royal Society of Chemistry
Citation: Fundamental crystal field excitations in magnetic semiconductor SnO2: Mn, Fe, Co, Ni / B. Leedahl, D. J. McCloskey, D. W. Boukhvalov, et al. — DOI 10.1039/c9cp01516g // Physical Chemistry Chemical Physics. — 2019. — Vol. 21. — Iss. 22. — P. 11992-11998.
Abstract: Directly measuring elementary electronic excitations in dopant 3d metals is essential to understanding how they function as part of their host material. Through calculated crystal field splittings of the 3d electron band it is shown how transition metals Mn, Fe, Co, and Ni are incorporated into SnO2. The crystal field splittings are compared to resonant inelastic X-ray scattering (RIXS) experiments, which measure precisely these elementary dd excitations. The origin of spectral features can be determined and identified via this comparison, leading to an increased understanding of how such dopant metals situate themselves in, and modify the host's electronic and magnetic properties; and also how each element differs when incorporated into other semiconducting materials. We found that oxygen vacancy formation must not occur at nearest neighbour sites to metal atoms, but instead must reside at least two coordination spheres beyond. The coordination of the dopants within the host can then be explicitly related to the d-electron configurations and energies. This approach facilitates an understanding of the essential link between local crystal coordination and electronic/magnetic properties. © 2019 the Owner Societies.
Keywords: MAGNETIC SEMICONDUCTORS
TRANSITION METALS
X RAY SCATTERING
COORDINATION SPHERE
CRYSTAL FIELD EXCITATIONS
CRYSTAL FIELD SPLITTINGS
ELECTRONIC AND MAGNETIC PROPERTIES
ELECTRONIC EXCITATION
RESONANT INELASTIC X-RAY SCATTERING
SEMICONDUCTING MATERIALS
VACANCY FORMATION
CRYSTALS
URI: http://hdl.handle.net/10995/101749
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85066996093
PURE ID: 10017339
21299af5-ec2e-4f2c-8e56-04c7d4f72d45
ISSN: 14639076
DOI: 10.1039/c9cp01516g
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

Files in This Item:
File Description SizeFormat 
2-s2.0-85066996093.pdf705,79 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.