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Unravelling uniaxial strain effects on electronic correlations, hybridization and bonding in transition metal oxides

Yong, Zhihua LU ; Linghu, Jiajun; Xi, Shibo; Yin, Xinmao; Leek, Meng Lee; Shen, Lei; Timm, Rainer LU ; Wee, Andrew T.S.; Feng, Yuan Ping and Pan, Jisheng (2019) In Acta Materialia 164. p.618-626
Abstract

The interplay among spin, lattice, charge and orbit is of central importance for several rich and fascinating properties of oxides, and is the subject of intense research at present. Here, we present an approach to manipulate this interplay by Sn doping to effectively apply uniaxial strain on the TiO2 lattice. The evolution of this interplay in pseudo-homoepitaxial Ti1-xSnxO2 films is measured using a combination of X-ray absorption near edge spectroscopy at the O K and Ti L3,2-edges. Supported by various theoretical calculations, we find that the multiplet-type electronic correlations, long-range bonding and hybridization in the system can be controlled by independently modifying... (More)

The interplay among spin, lattice, charge and orbit is of central importance for several rich and fascinating properties of oxides, and is the subject of intense research at present. Here, we present an approach to manipulate this interplay by Sn doping to effectively apply uniaxial strain on the TiO2 lattice. The evolution of this interplay in pseudo-homoepitaxial Ti1-xSnxO2 films is measured using a combination of X-ray absorption near edge spectroscopy at the O K and Ti L3,2-edges. Supported by various theoretical calculations, we find that the multiplet-type electronic correlations, long-range bonding and hybridization in the system can be controlled by independently modifying uniaxial strain, thereby allowing us to establish the correlations among these effects, doping concentration, and strain. This significantly widens the phase space for experimental exploration of predictive models and leads to new possibilities for manipulation over materials’ functional properties. The methodology presented here can be applied in general to study the nature of the multiplet-type electronic correlations and bonding properties in octahedral-coordinated 3dN transition metal oxides.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
(EXAFS, XANES), DFT, Extended X-ray absorption fine structure, Lattice strains, Semiconductors, Thin film
in
Acta Materialia
volume
164
pages
9 pages
publisher
Elsevier
external identifiers
  • scopus:85056669744
ISSN
1359-6454
DOI
10.1016/j.actamat.2018.11.017
language
English
LU publication?
yes
id
eddd4c44-a124-4331-a0a5-f2547152c1ea
date added to LUP
2018-11-26 12:03:55
date last changed
2019-08-14 04:28:14
@article{eddd4c44-a124-4331-a0a5-f2547152c1ea,
  abstract     = {<p>The interplay among spin, lattice, charge and orbit is of central importance for several rich and fascinating properties of oxides, and is the subject of intense research at present. Here, we present an approach to manipulate this interplay by Sn doping to effectively apply uniaxial strain on the TiO<sub>2</sub> lattice. The evolution of this interplay in pseudo-homoepitaxial Ti<sub>1-x</sub>Sn<sub>x</sub>O<sub>2</sub> films is measured using a combination of X-ray absorption near edge spectroscopy at the O K and Ti L<sub>3,2</sub>-edges. Supported by various theoretical calculations, we find that the multiplet-type electronic correlations, long-range bonding and hybridization in the system can be controlled by independently modifying uniaxial strain, thereby allowing us to establish the correlations among these effects, doping concentration, and strain. This significantly widens the phase space for experimental exploration of predictive models and leads to new possibilities for manipulation over materials’ functional properties. The methodology presented here can be applied in general to study the nature of the multiplet-type electronic correlations and bonding properties in octahedral-coordinated 3d<sup>N</sup> transition metal oxides.</p>},
  author       = {Yong, Zhihua and Linghu, Jiajun and Xi, Shibo and Yin, Xinmao and Leek, Meng Lee and Shen, Lei and Timm, Rainer and Wee, Andrew T.S. and Feng, Yuan Ping and Pan, Jisheng},
  issn         = {1359-6454},
  keyword      = {(EXAFS, XANES),DFT,Extended X-ray absorption fine structure,Lattice strains,Semiconductors,Thin film},
  language     = {eng},
  pages        = {618--626},
  publisher    = {Elsevier},
  series       = {Acta Materialia},
  title        = {Unravelling uniaxial strain effects on electronic correlations, hybridization and bonding in transition metal oxides},
  url          = {http://dx.doi.org/10.1016/j.actamat.2018.11.017},
  volume       = {164},
  year         = {2019},
}