Structure of periodic crystals and quasicrystals in ultrathin films of Ba-Ti-O

Cockayne, Eric; Mihalkovič, Marek; Henley, Christopher L.

doi:10.1103/PhysRevB.93.020101

Title: Structure of periodic crystals and quasicrystals in ultrathin films of Ba-Ti-O

Journal Article · Thu Jan 07 00:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.020101· OSTI ID:1343613

Cockayne, Eric ^[1]; Mihalkovič, Marek ^[2]; Henley, Christopher L. ^[3]

National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Material Measurement Lab.
Slovak Academy of Sciences, Bratislava (Slovakia). Inst. of Physics
Cornell Univ., Ithaca, NY (United States). Dept. of Physics

Here, we model the remarkable thin-film Ba-Ti-O structures formed by heat treatment of an initial perovskite BaTiO₃ thin film on a Pt(111) surface. All structures contain a rumpled Ti-O network with all Ti threefold coordinated with O, and with Ba occupying the larger. mainly Ti₇O₇, pores. The quasicrystal structue is a simple decoration of three types of tiles: square, triangle and 30° rhombus, with edge lengths 6.85 Å, joined edge-to-edge in a quasicrystalline pattern; observed periodic crystals in ultrathin film Ba-Ti-O are built from these and other tiles. Simulated STM images reproduce the patterns seen experimentally, and identify the bright protrusions as Ba atoms. The models are consistent with all experimental observations.

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Research Organization:: Cornell Univ., Ithaca, NY (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-89ER45405

OSTI ID:: 1343613

Alternate ID(s):: OSTI ID: 1234157

Journal Information:: Physical Review B, Vol. 93, Issue 2; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 15 works

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References (16)

Metallic Phase with Long-Range Orientational Order and No Translational Symmetry Shechtman, D.; Blech, I.; Gratias, D. Physical Review Letters, Vol. 53, Issue 20, p. 1951-1953 https://doi.org/10.1103/PhysRevLett.53.1951	journal	November 1984
Discovery of stable icosahedral quasicrystals: progress in understanding structure and properties Tsai, An-Pang Chemical Society Reviews, Vol. 42, Issue 12 https://doi.org/10.1039/c3cs35388e	journal	January 2013
Supramolecular dendritic liquid quasicrystals Zeng, Xiangbing; Ungar, Goran; Liu, Yongsong Nature, Vol. 428, Issue 6979 https://doi.org/10.1038/nature02368	journal	March 2004
Soft quasicrystals–Why are they stable? Lifshitz, R.; Diamant, H. Philosophical Magazine, Vol. 87, Issue 18-21 https://doi.org/10.1080/14786430701358673	journal	June 2007
Quasicrystalline structure formation in a classical crystalline thin-film system Förster, Stefan; Meinel, Klaus; Hammer, René Nature, Vol. 502, Issue 7470 https://doi.org/10.1038/nature12514	journal	October 2013
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
Electronic and magnetic properties of Ti ₂ O ₃ , Cr ₂ O ₃ , and Fe ₂ O ₃ calculated by the screened exchange hybrid density functional Guo, Yuzheng; Clark, Stewart J.; Robertson, John Journal of Physics: Condensed Matter, Vol. 24, Issue 32 https://doi.org/10.1088/0953-8984/24/32/325504	journal	July 2012
Stoichiometry engineering of ternary oxide ultrathin films: ${Ba}_{x} {Ti}_{2} O_{3}$ on Au(111) Wu, Chen; Castell, Martin R.; Goniakowski, J. Physical Review B, Vol. 91, Issue 15 https://doi.org/10.1103/PhysRevB.91.155424	journal	April 2015
Theory of the scanning tunneling microscope Tersoff, J.; Hamann, D. R. Physical Review B, Vol. 31, Issue 2 https://doi.org/10.1103/PhysRevB.31.805	journal	January 1985
Oxygen-deficient ordered phases of ultrathin BaTiO3 films on Pt(111): Ordered phases of BaTiO3 on Pt(111) Förster, Stefan; Meinel, Klaus; Schindler, Karl-Michael Surface and Interface Analysis, Vol. 44, Issue 6 https://doi.org/10.1002/sia.4812	journal	February 2012
From Point Defects in Graphene to Two-Dimensional Amorphous Carbon Kotakoski, J.; Krasheninnikov, A. V.; Kaiser, U. Physical Review Letters, Vol. 106, Issue 10 https://doi.org/10.1103/PhysRevLett.106.105505	journal	March 2011
Direct Imaging of a Two-Dimensional Silica Glass on Graphene Huang, Pinshane Y.; Kurasch, Simon; Srivastava, Anchal Nano Letters, Vol. 12, Issue 2 https://doi.org/10.1021/nl204423x	journal	January 2012
Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems Björkman, Torbjörn; Kurasch, Simon; Lehtinen, Ossi Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep03482	journal	December 2013
High-Silica Zeolite SSZ-61 with Dumbbell-Shaped Extra-Large-Pore Channels Smeets, Stef; Xie, Dan; Baerlocher, Christian Angewandte Chemie International Edition, Vol. 53, Issue 39 https://doi.org/10.1002/anie.201405658	journal	August 2014
Comment on "Quasicrystals: A New Class of Ordered Structures" Elser, V. Physical Review Letters, Vol. 54, Issue 15 https://doi.org/10.1103/PhysRevLett.54.1730	journal	April 1985

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Quasicrystals and their Approximants in 2D Ternary Oxides Förster, Stefan; Schenk, Sebastian; Maria Zollner, Eva physica status solidi (b), Vol. 257, Issue 7 https://doi.org/10.1002/pssb.201900624	journal	December 2019
Quasicrystals and their Approximants in 2D Ternary Oxides Förster, Stefan; Schenk, Sebastian; Maria Zollner, Eva Wiley-Blackwell Publishing, Inc. https://doi.org/10.5167/uzh-178910	text	January 2020

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