A density-functional theory study of tip electronic structures in scanning tunneling microscopy

Choi H.; Longo R.C.; Huang M.; Randall J.N.; Wallace R.M.; Cho K.

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A density-functional theory study of tip electronic structures in scanning tunneling microscopy

机译：扫描隧道显微镜中尖端电子结构的密度泛函理论研究

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In this work, we report a detailed analysis of the atomic and electronic structures of transition metal scanning tunneling microscopy tips: Rh, Pd, W, Ir, and Pt pyramidal models, and transition metal (TM) atom tips supported on the W surface, by means of ab initio density-functional theory methods. The d electrons of the apex atoms of the TM tips (Rh, Pd, W, Ir, and Pt tetrahedral structures) show different behaviors near the Fermi level and, especially for the W tip, dz2 states are shown to be predominant near the Fermi level. The electronic structures of larger pyramidal TM tip structures with a single apex atom are also reported. Their obtained density of states are thoroughly discussed in terms of the different d-electron occupations of the TM tips.

机译：在这项工作中，我们报告了对过渡金属扫描隧道显微镜尖端的原子和电子结构的详细分析：Rh，Pd，W，Ir和Pt金字塔模型，以及W表面上支撑的过渡金属（TM）原子尖端，通过从头算密度函数理论的方法。 TM尖端（Rh，Pd，W，Ir和Pt四面体结构）的顶部原子的d电子在费米能级附近表现出不同的行为，尤其是对于W尖端，dz2态在费米附近占主导地位水平。还报道了具有单个顶点原子的较大的金字塔形TM尖端结构的电子结构。根据TM尖端的不同d电子占有率，对它们获得的状态密度进行了全面讨论。

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《Nanotechnology》 |2013年第10期|共9页
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Choi H.; Longo R.C.; Huang M.; Randall J.N.; Wallace R.M.; Cho K.;
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1. A density-functional theory study of tip electronic structures in scanning tunneling microscopy [J] . Choi H., Longo R.C., Huang M., Nanotechnology . 2013,第10期

机译：扫描隧道显微镜中尖端电子结构的密度泛函理论研究
2. Si Nanoribbons on Ag(110) Studied by Grazing-Incidence X-Ray Diffraction, Scanning Tunneling Microscopy, and Density-Functional Theory: Evidence of a Pentamer Chain Structure (vol 117, 271602, 2016) [J] . Prevot Geoffroy, Hogan Conor, Leoni Thomas, Physical review letters . 2017,第4期

机译：通过掠入射X射线衍射，扫描隧道显微镜和密度泛函理论研究Ag（110）上的Si纳米带：五聚体链结构的证据（vol 117，271602，2016）
3. Publisher’s Note: Si Nanoribbons on Ag(110) Studied by Grazing-Incidence X-Ray Diffraction, Scanning Tunneling Microscopy, and Density-Functional Theory: Evidence of a Pentamer Chain Structure [Phys. Rev. Lett. 117, 276102 (2016)] [J] . Prevot Geoffroy, Hogan Conor, Leoni Thomas, Physical review letters . 2017,第1a8CD期

机译：发行商注意：AG（110）上的SI纳米队通过放牧入射X射线衍射，扫描隧道显微镜和密度 - 功能理论研究：五聚体链结构的证据[PHY。 rev. lett。 117,276102（2016）]
4. Probing Interfaces Using a Combination of Scanning Transmission Electron Microscopy and Density-Functional Theory [C] . S. T. Pantelides, T. J. Pennycook, W. Luo, International Metallographic Society Annual meeting;Microscopy Society of America Annual Meeting;Microanalysis Society Annual meeting . 2011

机译：结合扫描透射电镜和密度泛函理论探测界面
5. Scanning tunneling microscopy studies in both real- and momentum-space of the doping dependence of cuprate electronic structure. [D] . McElroy, Kyle Patrick. 2005

机译：扫描隧道显微镜研究了铜酸盐电子结构掺杂依赖性的实空间和动量空间。
6. Molecular electronics of a single photosystem I reaction center: studies with scanning tunneling microscopy and spectroscopy. [O] . I Lee, J W Lee, R J Warmack, 1995

机译：单个光系统I反应中心的分子电子学：使用扫描隧道显微镜和光谱学的研究。
7. Si Nanoribbons on Ag(110) Studied by Grazing-Incidence X-Ray Diffraction, Scanning Tunneling Microscopy, and Density-Functional Theory: Evidence of a Pentamer Chain Structure [O] . Prévot, Geoffroy, Hogan, Conor, Leoni, Thomas, 2016

机译：掠入射X射线衍射，扫描隧道显微镜和密度泛函理论研究Ag（110）上的Si纳米带：五聚体链结构的证据

A density-functional theory study of tip electronic structures in scanning tunneling microscopy

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