Surface relaxation of SrTiO3(001)

G. Charlton; C. A. Muryn; R. McGrath; D. Norman; T. S. Turner; G. Thornton

doi:10.1016/S0039-6028(00)00403-9

Surface relaxation of SrTiO₃(001)

G. Charlton^*, C. A. Muryn, R. McGrath, D. Norman, T. S. Turner, G. Thornton

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

Surface X-ray diffraction has been used to examine the 300 K structure of SrTiO₃(001) 1 × 1 with a termination of 78% TiO and 22% SrO. The data indicate that a lateral ferroelectric distortion is absent on both terminations, consistent with a recent theoretical calculation. Although the negligible Ti atom relaxation found on the TiO termination is consistent with medium-energy ion scattering data, it differs from recent density functional theory calculations by 0.13 and 0.16 angstrom. In contrast, the Sr displacement towards the SrO surface of 0.22±0.07 angstrom is in good agreement with theory.

Original language	English
Journal	Surface Science
Volume	457
Issue number	1
DOIs	https://doi.org/10.1016/S0039-6028(00)00403-9
Publication status	Published - 1 Jun 2000

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title = "Surface relaxation of SrTiO3(001)",

abstract = "Surface X-ray diffraction has been used to examine the 300 K structure of SrTiO3(001) 1 × 1 with a termination of 78\% TiO and 22\% SrO. The data indicate that a lateral ferroelectric distortion is absent on both terminations, consistent with a recent theoretical calculation. Although the negligible Ti atom relaxation found on the TiO termination is consistent with medium-energy ion scattering data, it differs from recent density functional theory calculations by 0.13 and 0.16 angstrom. In contrast, the Sr displacement towards the SrO surface of 0.22±0.07 angstrom is in good agreement with theory.",

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T1 - Surface relaxation of SrTiO3(001)

AU - Charlton, G.

AU - Muryn, C. A.

AU - McGrath, R.

AU - Norman, D.

AU - Turner, T. S.

AU - Thornton, G.

PY - 2000/6/1

Y1 - 2000/6/1

N2 - Surface X-ray diffraction has been used to examine the 300 K structure of SrTiO3(001) 1 × 1 with a termination of 78% TiO and 22% SrO. The data indicate that a lateral ferroelectric distortion is absent on both terminations, consistent with a recent theoretical calculation. Although the negligible Ti atom relaxation found on the TiO termination is consistent with medium-energy ion scattering data, it differs from recent density functional theory calculations by 0.13 and 0.16 angstrom. In contrast, the Sr displacement towards the SrO surface of 0.22±0.07 angstrom is in good agreement with theory.

AB - Surface X-ray diffraction has been used to examine the 300 K structure of SrTiO3(001) 1 × 1 with a termination of 78% TiO and 22% SrO. The data indicate that a lateral ferroelectric distortion is absent on both terminations, consistent with a recent theoretical calculation. Although the negligible Ti atom relaxation found on the TiO termination is consistent with medium-energy ion scattering data, it differs from recent density functional theory calculations by 0.13 and 0.16 angstrom. In contrast, the Sr displacement towards the SrO surface of 0.22±0.07 angstrom is in good agreement with theory.

UR - https://www.scopus.com/pages/publications/0033704727

U2 - 10.1016/S0039-6028(00)00403-9

DO - 10.1016/S0039-6028(00)00403-9

M3 - Article

AN - SCOPUS:0033704727

SN - 0039-6028

VL - 457

JO - Surface Science

JF - Surface Science

IS - 1

ER -

Surface relaxation of SrTiO₃(001)

Abstract

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