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Pauling's rules for oxide surfaces
Surface Science Reports ( IF 8.2 ) Pub Date : 2018-09-12 , DOI: 10.1016/j.surfrep.2018.08.001
Tassie K. Andersen , Dillon D. Fong , Laurence D. Marks

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. Herein, 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. Using this data and Pauling's rules, the fundamental structural units of reconstructions and their arrangement are discussed.



中文翻译:

鲍林氧化物表面的规则

表面结构的确定当前需要仔细的测量和计算上昂贵的方法,因为与块状晶体不同,经常缺乏用于产生表面结构假设的指导原则。在此,我们讨论鲍林规则作为表面结构准则的适用性。考虑了在SrTiO 3(100),(110)和(111)上解决的重构问题,以及这些表面和其他一些ABO 3氧化物材料上的纳米结构。发现这些规则可以解释重建和薄膜的原子排列,就像它们适用于块状氧化物材料一样。利用这些数据和鲍林定律,讨论了重建的基本结构单位及其安排。

更新日期:2018-09-12
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