Oxygen-deficient SrTiO3−x, x = 0.28, 0.17, and 0.08. Crystal growth, crystal structure, magnetic, and transport properties

Gong, Wanjun; Yun, Hoseop; Ning, Y. B.; Greedan, J. E.; Datars, W. R.; Stager, C. V.

doi:10.1016/0022-4596(91)90149-c

Cited by 137 publications

(100 citation statements)

References 15 publications

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“…That is, there is no measurable volume change due to the oxygen vacancies in the SrTiO 3 crystal, agreeing with previous reports 13,14 . Both of these experimental results are incompatible with the conventionally used diffuse scattering analysis [15][16][17][18] , which is based on the assumption that the point defects are randomly distributed.…”

Section: Resultssupporting

confidence: 82%

Strain and oxygen vacancy ordering inSrTiO3: Diffuse x-ray scattering studies

et al. 2015

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We report systematic diffuse x-ray scattering measurements of the elastic strain fields generated by oxygen vacancies in strained bulk SrTiO3 crystals. Diffuse x-ray scattering has been used for decades to measure the elastic strain fields generated by point defects based on the assumptions that the defects are randomly distributed and uncorrelated. We find for SrTiO3 that (i) there are correlations between oxygen vacancies with different orientations, (ii) we can manipulate the relative concentrations of the three orientations via applied stress, and (iii) the oxygen vacancies cluster around the edge dislocations, creating a two-dimensional distribution.

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Section: Resultssupporting

confidence: 82%

Strain and oxygen vacancy ordering inSrTiO3: Diffuse x-ray scattering studies

et al. 2015

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“…13 It is also known experimentally that the crystal structure and lattice parameters do not vary significantly even for small dopings of SrTiO 3 . 37 The small relaxation around this point defect is confirmed by a partial optimization of the structure with the oxygen vacancy with the Sr 12 Ti 12 O 36 cluster which shows a small displacement of the Ti ions nearest to the vacancy by 0.1 Å and away from it. Therefore, in the following, only ideal bulk structures are considered.…”

Section: A Cluster Calculationsmentioning

confidence: 80%

Electronic structure of a neutral oxygen vacancy inSrTiO3

et al. 2003

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The electronic structure of an isolated oxygen vacancy in SrTiO 3 has been investigated with a variety of ab initio quantum mechanical approaches. In particular we compared pure density functional theory ͑DFT͒ approaches with the Hartree-Fock method, and with hybrid methods where the exchange term is treated in a mixed way. Both local cluster models and periodic calculations with large supercells containing up to 80 atoms have been performed. Both diamagnetic ͑singlet state͒ and paramagnetic ͑triplet state͒ solutions have been considered. We found that the formation of an O vacancy is accompanied by the transfer of two electrons to the 3d(z 2 ) orbitals of the two Ti atoms along the Ti-Vac-Ti axis. The two electrons are spin coupled and the ground state is diamagnetic. New states associated with the defect center appear in the gap just below the conduction band edge. The formation energy computed with respect to an isolated oxygen atom in the triplet state is 9.4 eV.

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“…The presence of the octahedral field of oxygen ions around the Ti splits the five fold degenerate d -bands into t 2g and e g bands. Unlike other dopants like La and Nb (no changes in lattice constants), incorporating oxygen vacancies in STO causes, both theoretically predicted 5 and experimentally observed, 6 tetragonal distortion. Such a strain can alter both the position and degeneracies of the t 2g and e g bands.…”

Section: Introductionmentioning

confidence: 76%

High-temperature thermoelectric response of double-dopedSrTiO3epitaxial films

Ravichandran

Siemons

et al. 2010

Phys. Rev. B

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SrTiO3 is a promising n-type oxide semiconductor for thermoelectric energy conversion. Epitaxial thin films of SrTiO3 doped with both La and oxygen vacancies have been synthesized by pulsed laser deposition (PLD). The thermoelectric and galvanomagnetic properties of these films have been characterized at temperatures ranging from 300 K to 900 K and are typical of a doped semiconductor. Thermopower values of double-doped films are comparable to previous studies of La doped single crystals at similar carrier concentrations. The highest thermoelectric figure of merit (ZT ) was measured to be 0.28 at 873 K at a carrier concentration of 2.5 × 10 21 cm −3 .

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Oxygen-deficient SrTiO3−x, x = 0.28, 0.17, and 0.08. Crystal growth, crystal structure, magnetic, and transport properties

Cited by 137 publications

References 15 publications

Strain and oxygen vacancy ordering inSrTiO3: Diffuse x-ray scattering studies

Strain and oxygen vacancy ordering inSrTiO3: Diffuse x-ray scattering studies

Electronic structure of a neutral oxygen vacancy inSrTiO3

High-temperature thermoelectric response of double-dopedSrTiO3epitaxial films

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