2018
DOI: 10.1103/physrevb.97.245204
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Interconversion of intrinsic defects in SrTiO3(001)

Abstract: Photoemission features associated with states deep in the band gap of n-SrTiO 3 (001) are found to be ubiquitous in bulk crystals and epitaxial films. These features are present even when there is little signal near the Fermi level. Analysis reveals that these states are deep-level traps associated with defects. The commonly investigated defects-O vacancies, Sr vacancies, and aliovalent impurity cations on the Ti sites-cannot account for these features. Rather, ab initio modeling points to these states resulti… Show more

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Cited by 23 publications
(14 citation statements)
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“…For single-crystal STO (dashed line), two in-gap states are observed whereas for the STO films the state at 2.5 eV binding energy has disappeared. Both in-gap states are known to originate from defects [31,32]. The different in-gap states suggests a different defect structure of our PLD-grown STO films when compared to STO crystals.…”
Section: A Films On Highly Doped Substratementioning
confidence: 99%
“…For single-crystal STO (dashed line), two in-gap states are observed whereas for the STO films the state at 2.5 eV binding energy has disappeared. Both in-gap states are known to originate from defects [31,32]. The different in-gap states suggests a different defect structure of our PLD-grown STO films when compared to STO crystals.…”
Section: A Films On Highly Doped Substratementioning
confidence: 99%
“…Finally, we note that the ability to map band-edge profiles is especially important if there is no a priori knowledge of the direction that electronic charge will flow upon junction formation. This is the situation for heterostructures involving materials such as complex oxides because complex oxides can contain electrically active defects that trap charge and generate internal electric fields not anticipated by the design of the material system 35 . The formation of such defects can be driven by non-equilibrium synthesis conditions which, in turn, underscores the challenges of predicting band bending and band offsets on the basis of equilibrium theoretical models alone.…”
Section: Discussionmentioning
confidence: 99%
“…The Sr vacancies left behind at the interface trap itinerant electrons from the 2DEG upon formation, which is consistent with the diminished Ti 3+ signature observed in the Ti 2 p spectra. [ 63 ] The spectral data reveal that this process is fully reversible, indicating that Sr moves from the interface to the surface and back again as the oxygen gas activity is cycled.…”
Section: Figurementioning
confidence: 99%