Point defects at cleaved Sr n +1 Ru n O 3 n +1 (001) surfaces
Point defects at cleaved Sr n +1 Ru n O 3 n +1 (001) surfaces
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解理 Sr n 1 Ru n O 3 n 1 (001) 表面的点缺陷
DOI：
10.1103/physrevb.90.165438
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发表时间：
2014
影响因子：
3.7
通讯作者：
U. Diebold
中科院分区：
文献类型：
--
作者：
B. Stoger;Marcel Hieckel;F. Mittendorfer;Zhiming Wang;M. Schmid;G. Parkinson;D. Fobes;Jin Peng;J. Ortmann;A. Limbeck;Z. Mao;J. Redinger;U. Diebold
用低温扫描隧道显微镜和密度泛函理论计算研究了解理后的Sr3Ru2O7和Sr2RuO4样品的(001)面。在解理过程中不会产生固有缺陷。这一实验观察结果与计算结果一致，其中锶空位的形成能为4.19 eV，氧空位的形成能为3.81 eV，明显大于解理晶体所需的形成能1.11 eV/(1×1)晶胞。然而，表面氧空位可以通过电子轰击产生，并且它们的外观显示出随成像条件的强烈变化。在解理表面观察到的点缺陷是由于主体杂质和残留气体的吸附造成的。
The (001) surfaces of cleaved Sr3Ru2O7 and Sr2RuO4 samples were investigated using low-temperature scanning tunneling microscopy and density functional theory calculations. Intrinsic defects are not created during cleaving. This experimental observation is consistent with calculations, where the formation energy for a Sr and O vacancy, 4.19 eV and 3.81 eV, respectively, is significantly larger than that required to cleave the crystal, 1.11 eV/(1 × 1) unit cell. Surface oxygen vacancies can be created through electron bombardment, however, and their appearance is shown to vary strongly with the imaging conditions. Point defects observed on as-cleaved surfaces result from bulk impurities and adsorption from the residual gas.