1998
DOI: 10.1103/physrevb.57.2153
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Electronic structure of electron dopedSrTiO3:SrTiO3δ

Abstract: Electronic structures of electron-doped SrTiO 3Ϫ␦ and Sr 1Ϫx La x TiO 3 have been investigated within the ab initio band-structure approach using a supercell containing eight basic units. A small amount of electron doping is found to drive SrTiO 3 metallic, with the Fermi level moving into the conduction band in both the systems. Clustering of oxygen vacancies in the case of SrTiO 3Ϫ␦ gives rise to distinct non-rigid-band-like evolution of the electronic structure, trapping doped charge carriers in midgap sta… Show more

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Cited by 208 publications
(126 citation statements)
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“…38 Although, we do note that recent theoretical models of the LaAlO 3 /SrTiO 3 system point to the possibility of ferroelectric-like distortions in the LaAlO 3 layer as well. 2,39,40 In accord with previous observations however, 38 we suspect an interface dipole in SrTiO 3 , which in turn suggests that the electron gas lies not exactly at the interface, but burried one or a few monolayers within the SrTiO 3 . We thus speculate that the large influx of charge carriers into the potential well at the onset of Zener tunneling changes the local electric field and modifies the dipole strength, causing the observed hysteretic behaviour in CV .…”
supporting
confidence: 76%
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“…38 Although, we do note that recent theoretical models of the LaAlO 3 /SrTiO 3 system point to the possibility of ferroelectric-like distortions in the LaAlO 3 layer as well. 2,39,40 In accord with previous observations however, 38 we suspect an interface dipole in SrTiO 3 , which in turn suggests that the electron gas lies not exactly at the interface, but burried one or a few monolayers within the SrTiO 3 . We thus speculate that the large influx of charge carriers into the potential well at the onset of Zener tunneling changes the local electric field and modifies the dipole strength, causing the observed hysteretic behaviour in CV .…”
supporting
confidence: 76%
“…1 shows a sketch of the expected band gaps and Fermi level E f of each component of the tunnel junction as measured in bulk. [1][2][3][4][5] The Fermi level for SrTiO 3 is drawn at 0.3 eV below the conduction band rather than the midgap to account for oxygen vacancy doping in real substrates. 2 We note that for LaAlO 3 thin films grown on SrTiO 3 , a bandgap of 6.5 eV has also been measured 6 and will be compared with the 5.6 eV bulk gap 4,5 (depicted in Supplementary Fig.…”
Section: Competing Financial Interestsmentioning
confidence: 99%
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“…In this limit, the transport is dominated by the oxygen vacancies, which ionize partially by localizing some of the electrons. Particularly, clusters of oxygen vacancies can act as localizing sites for such itinerant electrons 25,26 and clustering of vacancies is a common feature in PLD grown STO thin films grown under low pressures. 27 In the case of samples containing 15% La, the low temperature resistivity is best described by ρ ∼ sinh 2 ( 1 T ), characteristic of small polaron conduction.…”
Section: B Optical Spectroscopymentioning
confidence: 99%
“…This is also supported by the work of Shanti and Sharma. 5 Unless authors fit lineshapes, linewidths, and especially temperature dependences to a polaron model, it remains speculative in our opinion to identify these features as due to polarons. In thin films, they may be entirely instrumental (contrary to the views in the Comment, the work of Kafadaryan cited and also of Ref.…”
mentioning
confidence: 99%