Surface structure of strontium titanate

Wang, Jianli; Fu, Min; Wu, Xiaoshan; Bai, Dongmei

doi:10.1063/1.3106615

Cited by 33 publications

(61 citation statements)

References 59 publications

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“…Simulation results agreed qualitatively with experimental data, by assuming a low value of E S on simulated A-site surface termination compared to E S values on B-site or film covered areas: E A S < E film S ≤ E B S . Wang et al [110] report adsorption of Sr and Ti favors TiO 2 surface termination over SrO. Moreover, Eglitis and Vanderbilt [111] report a higher surface energy for TiO 2 termination compared to SrO, indicating wetting of TiO 2 is preferred.…”

Section: Discussionmentioning

confidence: 99%

“…The surface structure of singly terminated DyScO 3 (110) and various other surface termination configurations are studied. By careful sample treatment, patterned surfaces with well-defined surface termination areas of ScO 2 and DyO are created and their structure studied.…”

Section: Thesis Outlinementioning

confidence: 99%

“…Chapter 3, describes the rare earth scandate surface structure, using DyScO 3 (110) as a model system. The surface structure of singly terminated DyScO 3 (110) and various other surface termination configurations are studied.…”

Section: Thesis Outlinementioning

confidence: 99%

“…[18] Moreover, DyScO 3 can be used as a model system for a group of related scandate compounds, with a range of lattice constants. The DyScO 3 (110) substrates, SrRuO 3 nanowires and the atomic growth model of SrRuO 3 on DyScO 3 are studied and discussed in this thesis. The effects of size reduction, epitaxial strain and the role of oxygen octahedral coupling are studied in two material systems.…”

Section: Introductionmentioning

confidence: 99%

“…The resulting electrode patterns can be used to study thin film size effects, where also the in-plane dimensions are reduced. The DyScO 3 (110) starting templates for this type of growth are studied in detail, as they yield well-defined SrRuO 3 nanopatterns. DyScO 3 is of interest as a substrate material for epitaxial growth, due to its high crystalline quality.…”

Section: Introductionmentioning

confidence: 99%

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Size effects in epitaxial oxide thin films

Kuiper

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Cover Three dimensional impression of the formation of epitaxial nanowires on an ordered mixed terminated crystal surface. The light gray blocks at the bottom represent the different areas of surface mixed termination, e.g., DyO and ScO 2 in the case of DyScO 3 . The dark blocks represent complete perovskite blocks of deposited film material, e.g., SrRuO 3 . This type of nanowire formation is described in chapters three, four and five of this thesis. The picture is generated using POVRay software and is based on actual Monte Carlo simulation results.The research described in this thesis was carried out within the Inorganic Materials Science group, Department of Science and Technology and the MESA+ institute for Nanotechnology at the University of Twente. This work is financially supported by The Netherlands Organization for Scientific Research (NWO). Nanopatterned epitaxial oxide thin films IntroductionFabricating ever smaller devices which show ever more functionality is at the heart of modern day technological development in the field of electronics. This quest for smaller and more advanced electronics, requires the fabrication of components and structures with length-scales now reaching only several nanometers (a billionth of a meter). Material properties at the nanometer scale can be very different compared to their bulk counterparts. Volume to surface area ratios change and classical laws of physics cannot always be applied; quantum effects start to play a role. A famous quote from world-renowned physicist Feynman is often referred to in this regard:"There is plenty of room at the bottom."Richard Feynman, December 1959 [1] Although popular magazines discourage the use of this quote as introduction in scientific publications [2] along with Moore's law, it perfectly summarizes the motivation for much of the research done in the field of nanotechnology in the past years and nicely fits the work done in this thesis. While intrinsic (bulk) material properties may be lost or altered by size or quantum effects, new phenomena and properties can emerge, e.g., giant magnetoresistance, which is now commonly used in hard disk drives and sensor applications. [3,4] The fabrication process of these small structures or thin films is usually different compared to conventional patterning techniques. New fabrication processes must be developed in order to create functional patterns at the nanometer scale and characterization techniques, like electron microscopy, should be improved to allow for analyzing the resulting structures and properties. In this respect, the fundamental material properties, the fabrication process and characterization methods are coupled and all require a great amount of study.An interesting group of materials for both device fabrication and fundamental materials studies is the family of metal oxides. Within this group, the per-1 2 Nanopatterned epitaxial oxide thin films ovskite family contains a range of materials which all share a common oxygen backbone, with a multitude of different properties, e.g....

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Section: Discussionmentioning

confidence: 99%

Section: Thesis Outlinementioning

confidence: 99%

Section: Thesis Outlinementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Size effects in epitaxial oxide thin films

Kuiper

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Thermodynamic stability of BaTiO₃ (110) surfaces

Wang

Tang

2011

Physica Status Solidi (b)

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The surface stability of five terminations (BaTiO, TiO, Ba, O 2 , and O) for the polar (110) BaTiO 3 surface is systematically studied by first-principle calculations. The surface grand potential is calculated and compared, taking into account the influence of the chemical environment as function of the relative chemical potential. The complete phase diagram of the ternary system is presented. The Ba-terminated BaTiO 3 (110) surface has a surface grand potential close to that for the BaOterminated (100) surface at 0 K under Ba-rich conditions, which indicates that both (110) and (100) BaTiO 3 surfaces can exist simultaneously in perovskite ceramics. 1 Introduction Barium titanate, BaTiO 3 (BTO), is not only one of the most important ferroelectric material utilized for ceramic capacitors, ferroelectric random access memory, and piezoelectric devices [1,2], but also an important dielectric material from a technological standpoint due to its extremely high electrical permittivity. The surface structure as well as the electronic properties has a very important effect on the applications of BTO in the fields of thin films and catalysts [3,4]. Among all the orientations of the BTO crystal, the (100) surface [5][6][7] was the most extensively studied owing to its nonpolar characteristic and high stability. Relative to the well known (100) surface, however, much less is known about the (110) and (111) surfaces. The scarcity of information about these surfaces may be attributed to their polar characteristics.Although a dense and smooth (110) surface has been successfully prepared by a two-step method including the pulsed laser deposition technique in experimental [8], our knowledge on this polar surface is still limited. Only few theoretical studies [9-13] so far on BTO (110) surface structure are available. Heifets and coworkers have investigated four nonstoichiometric (110) terminations by the semiempirical shell model to reveal the structure and polarization properties, and their results showed that the relaxations and surface energies of the (110) terminations are much larger than those of the (001) terminations [9][10][11].

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