Atomic and Electronic Structure of the BaTiO3(001) (√5×√5)R26.6° Surface Reconstruction

Martirez, John Mark P.; Morales, Erie H.; Saidi, Wissam A.; Bonnell, Dawn A.; Rappe, Andrew M.

doi:10.1103/PhysRevLett.109.256802

Title: Atomic and Electronic Structure of the BaTiO₃(001) (√5×√5)R26.6° Surface Reconstruction

Journal Article · Thu Dec 20 00:00:00 EST 2012 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.109.256802· OSTI ID:1102565

Martirez, John Mark P.; Morales, Erie H.; Saidi, Wissam A.; Bonnell, Dawn A.; Rappe, Andrew M.

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Sponsoring Organization:: USDOE

OSTI ID:: 1102565

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 109 Journal Issue: 25; ISSN 0031-9007

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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References (26)

Structure and electronic states on reduced BaTiO3 (100) surface observed by scanning tunneling microscopy and spectroscopy Bando, Hiroshi Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 14, Issue 2 https://doi.org/10.1116/1.588400	journal	March 1996
Atomic structures of the defective SrTiO3 (001) surface Kubo, Toshitaka; Orita, Hideo; Nozoye, Hisakazu Physical Chemistry Chemical Physics, Vol. 13, Issue 37 https://doi.org/10.1039/c1cp21605h	journal	January 2011
Surface Structure and Electronic Property of Reduced SrTiO ₃ (100) Surface Observed by Scanning Tunneling Microscopy/Spectroscopy Tanaka, Hiroyuki; Matsumoto, Takuya; Kawai, Tomoji Japanese Journal of Applied Physics, Vol. 32, Issue Part 1, No. 3B https://doi.org/10.1143/JJAP.32.1405	journal	March 1993
Surface termination of BaTiO3 (001) single crystals: A combined electron spectroscopic and theoretical study Berlich, Andrea; Strauss, Heiko; Langheinrich, Christian Surface Science, Vol. 605, Issue 1-2 https://doi.org/10.1016/j.susc.2010.10.014	journal	January 2011
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
A systematic study of ideal and double layer reconstructions of ABO ₃ (001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles Iles, N.; Finocchi, F.; Driss Khodja, K. Journal of Physics: Condensed Matter, Vol. 22, Issue 30 https://doi.org/10.1088/0953-8984/22/30/305001	journal	July 2010
Optical Properties of Perovskite Oxides in Their Paraelectric and Ferroelectric Phases DiDomenico, M.; Wemple, S. H. Physical Review, Vol. 166, Issue 2 https://doi.org/10.1103/PhysRev.166.565	journal	February 1968
Designed nonlocal pseudopotentials for enhanced transferability Ramer, Nicholas J.; Rappe, Andrew M. Physical Review B, Vol. 59, Issue 19 https://doi.org/10.1103/PhysRevB.59.12471	journal	May 1999
Direct in situ determination of the polarization dependence of physisorption on ferroelectric surfaces Li, Dongbo; Zhao, Mosha H.; Garra, J. Nature Materials, Vol. 7, Issue 6 https://doi.org/10.1038/nmat2198	journal	May 2008
Stabilization of Monodomain Polarization in Ultrathin ${PbTiO}_{3}$ Films Fong, D. D.; Kolpak, A. M.; Eastman, J. A. Physical Review Letters, Vol. 96, Issue 12, Article No. 127601 https://doi.org/10.1103/PhysRevLett.96.127601	journal	March 2006
Surface Structure of ${SrTiO}_{3} (100) - (\sqrt{5} \times \sqrt{5}) - R 26.6 °$ Kubo, T.; Nozoye, H. Physical Review Letters, Vol. 86, Issue 9 https://doi.org/10.1103/PhysRevLett.86.1801	journal	February 2001
LEED study of surface structures on the (001) face of BaTiO3 Aberdam, Daniel; Bouchet, Gérard; Ducros, Pierre Surface Science, Vol. 27, Issue 3 https://doi.org/10.1016/0039-6028(71)90188-9	journal	October 1971
Scanning Tunneling Microscopy and Spectroscopy Observation of Reduced $\bf BaTiO_{3}(100)$ Surface Shimizu, Tetsushi; Bando, Hiroshi Japanese Journal of Applied Physics, Vol. 34, Issue Part 2, No. 10A https://doi.org/10.1143/JJAP.34.L1305	journal	October 1995
Surface structure of SrTiO3(100) Kubo, T.; Nozoye, H. Surface Science, Vol. 542, Issue 3 https://doi.org/10.1016/S0039-6028(03)00998-1	journal	September 2003
Variations of the local electronic surface properties of ${TiO}_{2} (110)$ induced by intrinsic and extrinsic defects Batzill, Matthias; Katsiev, Khabibulakh; Gaspar, Daniel J. Physical Review B, Vol. 66, Issue 23 https://doi.org/10.1103/PhysRevB.66.235401	journal	December 2002
Insulator–metal transition on heavily reduced TiO2(110) surface studied by high temperature-scanning tunnelling spectroscopy (HT-STS) Klusek, Z.; Pierzgalski, S.; Datta, S. Applied Surface Science, Vol. 221, Issue 1-4 https://doi.org/10.1016/S0169-4332(03)00877-8	journal	January 2004
Multiferroics progress and prospects in thin films Ramesh, R.; Spaldin, Nicola A. Nature Materials, Vol. 6, Issue 1, p. 21-29 https://doi.org/10.1038/nmat1805	journal	January 2007
Photoemission study of BaTiO3(100) surfaces Cord, B.; Courths, R. Surface Science, Vol. 152-153 https://doi.org/10.1016/0039-6028(85)90532-1	journal	April 1985
Optical Properties and Band Structure of SrTi $O_{3}$ and BaTi $O_{3}$ Cardona, Manuel Physical Review, Vol. 140, Issue 2A https://doi.org/10.1103/PhysRev.140.A651	journal	October 1965
Evolution of the Structure and Thermodynamic Stability of the ${BaTiO}_{3} (001)$ Surface Kolpak, Alexie M.; Li, Dongbo; Shao, Rui Physical Review Letters, Vol. 101, Issue 3 https://doi.org/10.1103/PhysRevLett.101.036102	journal	July 2008
Quantitative criteria for transferable pseudopotentials in density functional theory Grinberg, Ilya; Ramer, Nicholas J.; Rappe, Andrew M. Physical Review B, Vol. 63, Issue 20 https://doi.org/10.1103/PhysRevB.63.201102	journal	May 2001
Equilibrium Polarization of Ultrathin ${PbTiO}_{3}$ with Surface Compensation Controlled by Oxygen Partial Pressure Highland, M. J.; Fister, T. T.; Fong, D. D. Physical Review Letters, Vol. 107, Issue 18 https://doi.org/10.1103/PhysRevLett.107.187602	journal	October 2011
Polarization Effects on the Surface Chemistry of ${PbTiO}_{3}$ -Supported Pt Films Kolpak, Alexie M.; Grinberg, Ilya; Rappe, Andrew M. Physical Review Letters, Vol. 98, Issue 16 https://doi.org/10.1103/PhysRevLett.98.166101	journal	April 2007
Optimized pseudopotentials Rappe, Andrew M.; Rabe, Karin M.; Kaxiras, Efthimios Physical Review B, Vol. 41, Issue 2 https://doi.org/10.1103/PhysRevB.41.1227	journal	January 1990
Linear response approach to the calculation of the effective interaction parameters in the $LDA + U$ method Cococcioni, Matteo; de Gironcoli, Stefano Physical Review B, Vol. 71, Issue 3 https://doi.org/10.1103/PhysRevB.71.035105	journal	January 2005
Strain Tuning of Ferroelectric Thin Films Schlom, Darrell G.; Chen, Long-Qing; Eom, Chang-Beom Annual Review of Materials Research, Vol. 37, Issue 1 https://doi.org/10.1146/annurev.matsci.37.061206.113016	journal	August 2007

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Title: Atomic and Electronic Structure of the BaTiO₃(001) (√5×√5)R26.6° Surface Reconstruction