2012
DOI: 10.1103/physrevb.85.081104
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Strain dependence of bonding and hybridization across the metal-insulator transition of VO2

Abstract: Soft x-ray spectroscopy is used to investigate the strain dependence of the metal-insulator transition of VO2. Changes in the strength of the V 3d -O 2p hybridization are observed across the transition, and are linked to the structural distortion. Furthermore, although the V-V dimerization is well-described by dynamical mean-field theory, the V-O hybridization is found to have an unexpectedly strong dependence on strain that is not predicted by band theory, emphasizing the relevance of the O ion to the physics… Show more

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Cited by 33 publications
(24 citation statements)
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References 28 publications
(42 reference statements)
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“…13 The luminous transmittance can be boosted by magnesium substitution [14][15] and by fluorination. 16 The metal-insulator transition can be influenced by a variety of external parameters, and recent work have considered the effects of strain [17][18][19] and lattice misfit with the substrate, 20,21 electric field or current activation, [22][23][24][25][26][27][28][29][30][31] light irradiation, [32][33][34][35][36][37][38] ion bombardment, 39,40 and gaseous ambience. 41 Considering the wealth of possibilities to modulate the properties of VO 2 -based thin films, it is not surprising that they are discussed for a vast number of applications such as thermochromic "smart" windows for energy efficient buildings, [42][43][44][45][46][47][48][49][50] variable-thermal-emittance surfaces for thermal radiation control, 51 oscillators and switches in (opto)electronics, 25,26,34,52,53 transistors of different types, <...>…”
Section: Introductionmentioning
confidence: 99%
“…13 The luminous transmittance can be boosted by magnesium substitution [14][15] and by fluorination. 16 The metal-insulator transition can be influenced by a variety of external parameters, and recent work have considered the effects of strain [17][18][19] and lattice misfit with the substrate, 20,21 electric field or current activation, [22][23][24][25][26][27][28][29][30][31] light irradiation, [32][33][34][35][36][37][38] ion bombardment, 39,40 and gaseous ambience. 41 Considering the wealth of possibilities to modulate the properties of VO 2 -based thin films, it is not surprising that they are discussed for a vast number of applications such as thermochromic "smart" windows for energy efficient buildings, [42][43][44][45][46][47][48][49][50] variable-thermal-emittance surfaces for thermal radiation control, 51 oscillators and switches in (opto)electronics, 25,26,34,52,53 transistors of different types, <...>…”
Section: Introductionmentioning
confidence: 99%
“…Our results agree with (i) and (iii), while strain-induced cracking prevents an accurate description of the effect mentioned in (ii). Further theoretical investigations should take into account not only strain [4] but also the oxygen degrees of freedom [80] in order to provide a more accurate description of the O2p and V3d orbitals overlap, most relevant for describing the conductivity in the ab R -plane, and of the cracking along c R . Such estimates would be adequate for a quantitative, rather than merely qualitative, comparison with our experimental data.…”
Section: Discussionmentioning
confidence: 99%
“…That compressive strain results in a lowering of the energy of the band is supported by X-ray emission spectroscopy experiments on strained VO 2 films grown on TiO 2 . 40 The slight lowering of the filled bands relative to the bands could account for the prominence of the pseudo-gap type feature "p" if this feature is due to optical transitions between those two bands. This lowering in energy of the band, due to compressive strain, would increase the occupation of the bottom half of the band.…”
Section: Assignment Of Spectral Featuresmentioning
confidence: 99%