Pauling's rules for oxide surfaces

doi:10.1016/j.surfrep.2018.08.001

Title: Pauling's rules for oxide surfaces

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Abstract

Determination of surface structures currently requires careful measurement and computationally expensive methods since, unlike bulk crystals, guiding principles for generating surface structural hypotheses are frequently lacking. In this work, we discuss the applicability of Pauling's rules as a set of guidelines for surface structures. The wealth of solved reconstructions on SrTiO ₃ (100), (110), and (111) are considered, as well as nanostructures on these surfaces and a few other ABO ₃ oxide materials. These rules are found to explain atomic arrangements for reconstructions and thin films just as they apply to bulk oxide materials. Lastly, using this data and Pauling's rules, the fundamental structural units of reconstructions and their arrangement are discussed.

Authors:

Andersen, Tassie K. ^[1]; Fong, Dillon D. ^[2]; Marks, Laurence D. ^[1]

Northwestern Univ., Evanston, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

Publication Date:: 2018-09-12

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)

OSTI Identifier:: 1476649

Grant/Contract Number:: AC02-06CH11357; FG02-01ER45945

Resource Type:: Accepted Manuscript

Journal Name:: Surface Science Reports

Additional Journal Information:: Journal Volume: 73; Journal Issue: 5; Journal ID: ISSN 0167-5729

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Oxide surfaces; Surface structure; Perovskite oxides; Surface reconstructions; Reconstructions; Strontium titanate

Citation Formats


                    Andersen, Tassie K., Fong, Dillon D., and Marks, Laurence D. Pauling's rules for oxide surfaces.  United States: N. p., 2018. 
        Web.  doi:10.1016/j.surfrep.2018.08.001.

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                    Andersen, Tassie K., Fong, Dillon D., & Marks, Laurence D. Pauling's rules for oxide surfaces.  United States.  doi:10.1016/j.surfrep.2018.08.001.

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                    Andersen, Tassie K., Fong, Dillon D., and Marks, Laurence D. Wed .  
        "Pauling's rules for oxide surfaces".  United States.  doi:10.1016/j.surfrep.2018.08.001.  https://www.osti.gov/servlets/purl/1476649.

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@article{osti_1476649,

  title        = {Pauling's rules for oxide surfaces},

  author       = {Andersen, Tassie K. and Fong, Dillon D. and Marks, Laurence D.},

  abstractNote = {Determination of surface structures currently requires careful measurement and computationally expensive methods since, unlike bulk crystals, guiding principles for generating surface structural hypotheses are frequently lacking. In this work, we discuss the applicability of Pauling's rules as a set of guidelines for surface structures. The wealth of solved reconstructions on SrTiO3 (100), (110), and (111) are considered, as well as nanostructures on these surfaces and a few other ABO3 oxide materials. These rules are found to explain atomic arrangements for reconstructions and thin films just as they apply to bulk oxide materials. Lastly, using this data and Pauling's rules, the fundamental structural units of reconstructions and their arrangement are discussed.},

  doi          = {10.1016/j.surfrep.2018.08.001},

  journal      = {Surface Science Reports},

  number       = 5,

  volume       = 73,

  place        = {United States},

  year         = {2018},

  month        = {9}

}

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DOI: 10.1016/j.surfrep.2018.08.001

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