这里会显示出您选择的修订版和当前版本之间的差别。
两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 | ||
atk:沉积超薄氧化层调控银表面功函数 [2019/03/26 22:11] – [有效势] xie.congwei | atk:沉积超薄氧化层调控银表面功函数 [2019/03/26 22:19] (当前版本) – [参考] xie.congwei | ||
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===== 1D 投影插件 ===== | ===== 1D 投影插件 ===== | ||
+ | 1D 投影可用于将各种 3D 网格数据投影到 1D 表示。这非常有助于实现可视化的目的,适用于 QuantumATK 网格对象(参见方框)的较广范围。 | ||
+ | 常用的 QuantumATK 网格对象: | ||
+ | BlochState,EffectivePotential,Eigenstate,ElectronDensity, | ||
+ | |||
+ | |||
+ | 插件小程序中提供了几个选项: | ||
+ | |||
+ | **Grid** | ||
+ | |||
+ | 您可以打开投影工具,在 LabFloor 上选择多个对象,将它们彼此相邻绘制。在这里,您可以选择要绘制哪一个。 | ||
+ | |||
+ | **Axis** | ||
+ | |||
+ | 选择您想要要投影 3D 数据网格的方向。 | ||
+ | |||
+ | **Projection type** | ||
+ | |||
+ | 对垂直于所选方向的平面中的所有数据求和或求平均值。您还可以沿着穿过特定投影点的直线绘制单个值。 | ||
+ | |||
+ | **Projection point** | ||
+ | |||
+ | 在分数坐标中指定选择投影类型为 Through point 时使用的投影点。 | ||
+ | |||
+ | **Spin projection** | ||
+ | |||
+ | 在自旋极化计算的情况下,共线或非共线,您可以选择特定的旋转投影。 | ||
+ | |||
+ | **Add line** | ||
+ | |||
+ | 上述选项指定后,单击此按钮可在窗口右侧绘制投影。您可以在同一个图中添加更多投影。 | ||
+ | |||
+ | **Remove line** | ||
+ | |||
+ | 在 Projection Plot 窗口中选择一行,然后单击以从图中删除这条线。 | ||
+ | |||
+ | **Clear plot** | ||
+ | |||
+ | 从绘图中删除所有线条。 | ||
+ | |||
+ | **Line Info** | ||
+ | |||
+ | 显示了与当前所选绘图线/ | ||
+ | |||
+ | **Projection Plot** | ||
+ | |||
+ | 右键单击可缩放,自定义或将数据导出到文件。 | ||
===== 参考 ===== | ===== 参考 ===== | ||
+ | * [BTI04] G. Butti, M. I. Trioni, and H. Ishida. Electronic properties calculation of mgo thin films adsorbed on semi-infinite ag(001). Phys. Rev. B, 70:195425, Nov 2004. [[http:// | ||
+ | |||
+ | * [GCP06] Livia Giordano, Fabrizio Cinquini, and Gianfranco Pacchioni. Tuning the surface metal work function by deposition of ultrathin oxide films: Density functional calculations. Phys. Rev. B, 73:045414, Jan 2006. [[http:// | ||
+ | |||
+ | * [GP11] Livia Giordano and Gianfranco Pacchioni. Oxide films at the nanoscale: New structures, new functions, and new materials. Accounts of Chemical Research, 44(11): | ||
+ | |||
+ | * [LZE04] Christian Loppacher, Ulrich Zerweck, and M. Lukas Eng. Kelvin probe force microscopy of alkali chloride thin films on au(111). Nanotechnology, | ||
+ | |||
+ | * [Pac12] Gianfranco Pacchioni. Two-dimensional oxides: Multifunctional materials for advanced technologies. Chemistry – A European Journal, 18(33): | ||
+ | |||
+ | * [PH13] Gianfranco Pacchioni and Freund Hajo. Electron transfer at oxide surfaces. the mgo paradigm: from defects to ultrathin films. Chemical Reviews, 113(6): | ||
+ | |||
+ | * [PPS+05] Marina Pivetta, Fran\ifmmode \mbox ç\else ç\fi ois Patthey, Massimiliano Stengel, Alfonso Baldereschi, | ||
+ | |||
+ | * [PBP+07] Hans-Christoph Ploigt, Christophe Brun, Marina Pivetta, Fran\ifmmode \mbox ç\else ç\fi ois Patthey, and Wolf-Dieter Schneider. Local work function changes determined by field emission resonances: Nacl∕ag(100). Phys. Rev. B, 76:195404, Nov 2007. [[http:// | ||
+ | |||
+ | * [PMP08] (1, 2, 3, 4) Stefano Prada, Umberto Martinez, and Gianfranco Pacchioni. Work function changes induced by deposition of ultrathin dielectric films on metals: A theoretical analysis. Phys. Rev. B, 78:235423, Dec 2008. [[http:// | ||
+ | |||
+ | * 英文原文:[[https:// | ||