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图表 低自旋与高自旋 (模式图)

tag-icon • tag-icon tikz-pgf modiagram
图表 低自旋与高自旋 (模式图)

我正在写论文，我想画一个图来比较铁（II）在 LS 和 HS 状态下的电子分布。它应该看起来像下面的图片。我尝试了几次modiagram，但我无法水平对齐轨道。我不知道如何完成图中缺失的部分（右侧）

以下是我所拥有的：

\documentclass{article}
\usepackage{modiagram}
\usepackage{upgreek}
\begin{document}

\begin{figure}
  \centering
    \begin{MOdiagram}[lines = gray]
      \small
      % Metal
      \AO[metal-3d-1]{s}{-0.10;}
      \AO[metal-3d-2]{s}{-0.05;}
      \AO[metal-3d-3]{s}{ 0.00;}
      \AO[metal-3d-4]{s}{ 0.05;}
      \AO[metal-3d-5]{s}{ 0.10;}
      % Complex
      \AO[complex-t2g-1](50 pt){s}{-1.05;}
      \AO[complex-t2g-2](50 pt){s}{-1.00;}
      \AO[complex-t2g-3](50 pt){s}{-0.95;}
      \AO[complex-eg-1] (50 pt){s}{1.50;}
      \AO[complex-eg-2] (50 pt){s}{1.55;}

      \node[inner sep = 0, outer sep = 0]
        (midway) at (55 pt, 0 pt) {};
      \draw[style = dotted] (45 pt, 0 pt) --  ++ (10 pt, 0 pt);

      \connect{
        metal-3d-3 & complex-t2g-2,
        metal-3d-3 & complex-eg-1
      }
      \node[right] at (complex-t2g-1.east){$\mathrm{t}_{2\mathrm{g}}$};
      \node[right] at (complex-eg-1.east) {$\mathrm{e}_{\mathrm{g}}$};

      \draw[orange, <->] (complex-t2g-3.west) -- (complex-eg-1.west)
        node[midway,left] {$\Delta_{\mathrm{O}}$} ;
      \draw[orange, <->] (complex-eg-1.east) -- (midway.east)
        node[midway,right] {$\frac{3}{5}\Delta_{\mathrm{O}}$} ;
      \draw[orange, <->] (complex-t2g-3.east) -- (midway.east)
        node[midway,right] {$\frac{2}{5}\Delta_{\mathrm{O}}$} ;
        \EnergyAxis[title]
    \end{MOdiagram}
  \caption{Octahedral field splitting}
\end{figure}

\end{document}

在此处输入图片描述

答案1

解决方案是tikz。这只是一个开始，并不完全等同于您的示例。修改将有助于获得您的风格。添加\usetikzlibrary{arrows.meta}和\usepackage[eulergreek]{sansmath}。

手动的（...，16.5.4 上限）

在此处输入图片描述

梅威瑟：

\documentclass[border=2mm]{standalone}
%\usepackage{tikz}
\usepackage{graphicx}
\usepackage{pgfplots}
\pgfplotsset{compat=1.14}
%\pagestyle{empty}
\usetikzlibrary{arrows.meta}
\usepackage[eulergreek]{sansmath}


\begin{document}
\begin{tikzpicture}[>=latex,font=\sffamily\sansmath]
\begin{axis}[
  axis line style = ultra thick,
  axis x line=center,
  axis y line=center,
  xtick=\empty,%{-5,-4,...,5},
  ytick=\empty,%{-5,-4,...,5},
  xlabel={\textbf{Ligandenfeldstärke}},
  ylabel={\textbf{Energie}},
  x label style={at={(axis description cs:0.5,0)},anchor=north},
  y label style={at={(axis description cs:0,.5)},rotate=90,anchor=south},
  xmin=0,
  xmax=20,
  ymin=0,
  ymax=20,
  y=0.32cm,
  x=0.6cm,]
\end{axis}
\foreach \a in {3,+3.1,...,3.5} {
\draw[black,thick] (0.2,\a) -- (1.0,\a);
};
\node at (0.6,3.6) {$d_6$}; 

\draw[thick] (1.2,3.2) -- (3.2,5) node[anchor=west] {$e_g$};
\draw[thick] (1.2,3.2) -- (3.2,1.4) node[anchor=west] {$t_{2g}$};

\foreach \b in {4,5,6} {
\draw[black,thick] (\b,5) -- (\b+0.5,5);
\draw[black,thick] (\b,1.4) -- (\b+0.5,1.4);
};

\node at (4.25,4.5) {$d_{z^2}$};
\node at (5.25,4.5) {$d_{x^2-y^2}$};

\node at (5,3.2) {S=2};

\node at (4.25,0.9) {$d_{xy}$};
\node at (5.25,0.9) {$d_{xz}$};
\node at (6.25,0.9) {$d_{yz}$};

\draw[black,dashed,<->] (6.5,1.4) -- (6.5,5);

\node at (7,3.2) {$\Delta$};

\draw[ultra thick,blue!50,dashed] (7.5,0.9) -- (7.5,5.5);

\draw[black,dotted] (6.5,1.4) -- (8.5,1);
\draw[black,dotted] (6.5,5) -- (8.5,5.4);

\draw [-{Triangle[left]},ultra thick,red]  (4.25,4.8) -- (4.25,5.5);
\draw [-{Triangle[left]},ultra thick,red]  (5.25,4.8) -- (5.25,5.5);

\draw [-{Triangle[left]},ultra thick,red]  (4.2,1.2) -- (4.2,1.9);
\draw [{Triangle[left]}-,ultra thick,red]  (4.3,1.2) -- (4.3,1.9);
\draw [-{Triangle[left]},ultra thick,red]  (5.25,1.2) -- (5.25,1.9);
\draw [-{Triangle[left]},ultra thick,red]  (6.25,1.2) -- (6.25,1.9);

\node at (5,6) {$\Delta < P$};

\foreach \b in {8.5,9.5,10.5} {
\draw[black,thick] (\b,5.4) -- (\b+0.5,5.4);
\draw[black,thick] (\b,1) -- (\b+0.5,1);
};

\node at (9.5,6) {$\Delta > P$};

\node at (9.5,3.2) {S=0};

\node at (10.5,3.2) {$\Delta$};

\draw[black,dashed,<->] (10.25,1) -- (10.25,5.4);

\draw [-{Triangle[left]},ultra thick,red]  (8.7,0.8) -- (8.7,1.5);
\draw [-{Triangle[left]},ultra thick,red]  (9.7,0.8) -- (9.7,1.5);
\draw [-{Triangle[left]},ultra thick,red]  (10.7,0.8) -- (10.7,1.5);
\draw [{Triangle[left]}-,ultra thick,red]  (8.8,0.8) -- (8.8,1.5);
\draw [{Triangle[left]}-,ultra thick,red]  (9.8,0.8) -- (9.8,1.5);
\draw [{Triangle[left]}-,ultra thick,red]  (10.8,0.8) -- (10.8,1.5);

\node[red,ultra thick] at (5,0.25) {\textbf{high-spin}};

\node[blue,ultra thick] at (10,0.25) {\textbf{low-spin}};
\end{tikzpicture}

\end{document}

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