Revised list of TBCs

4 files changed, 410 insertions, 410 deletions

diff --git a/sample_notebooks/ajinkyakhair/Untitled3.ipynb b/sample_notebooks/ajinkyakhair/ajinkyakhair_version_backup/Untitled3.ipynb
index c9360e01..c9360e01 100755
--- a/sample_notebooks/ajinkyakhair/Untitled3.ipynb
+++ b/sample_notebooks/ajinkyakhair/ajinkyakhair_version_backup/Untitled3.ipynb
diff --git a/sample_notebooks/ajinkyakhair/ajinkyakhair_version_backup/chapter2.ipynb b/sample_notebooks/ajinkyakhair/ajinkyakhair_version_backup/chapter2.ipynb
new file mode 100755
index 00000000..8b221e49
--- /dev/null
+++ b/sample_notebooks/ajinkyakhair/ajinkyakhair_version_backup/chapter2.ipynb
@@ -0,0 +1,240 @@
+{
+ "metadata": {
+  "celltoolbar": "Raw Cell Format",
+  "name": "",
+  "signature": "sha256:4fe36e3e0da1a77ee9793bbcdad9ed8d44455b05327e70b42ad389ca8fb3e239"
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+  {
+   "cells": [
+    {
+     "cell_type": "heading",
+     "level": 1,
+     "metadata": {},
+     "source": [
+      "Chapter 2: Semiconductor Physics"
+     ]
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.21.1,Page number 2-47"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
+      "\n",
+      "#Given Data:\n",
+      "\n",
+      "ro=1.72*10**-8                           #resistivity of Cu\n",
+      "s=1/ro                                   #conductivity of Cu\n",
+      "n=10.41*10**28                           #no of electron per unit volume\n",
+      "e=1.6*10**-19                            #charge on electron\n",
+      "\n",
+      "u=s/(n*e)\n",
+      "print\"mobility of electron in Cu =\",round(u,4),\"m**2/volt-sec\""
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "mobility of electron in Cu = 0.0035 m**2/volt-sec\n"
+       ]
+      }
+     ],
+     "prompt_number": 2
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.21.2,Page number 2-47"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
+      "\n",
+      "#Given Data:\n",
+      "\n",
+      "m=63.5                                  #atomic weight\n",
+      "u=43.3                                  #mobility of electron\n",
+      "e=1.6*10**-19                            #charge on electron\n",
+      "N=6.02*10**23                            #Avogadro's number\n",
+      "d=8.96                                   #density\n",
+      "\n",
+      "Ad=N*d/m                                #Atomic density\n",
+      "n=1*Ad\n",
+      "\n",
+      "ro=1/(n*e*u)\n",
+      "\n",
+      "print\"Resistivity of Cu =\",\"{0:.3e}\".format(ro),\"ohm-cm\""
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Resistivity of Cu = 1.699e-06 ohm-cm\n"
+       ]
+      }
+     ],
+     "prompt_number": 4
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.21.3,Page number 2-47"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
+      "\n",
+      "#Given Data:\n",
+      "\n",
+      "e=1.6*10**-19                            #charge on electron\n",
+      "ne=2.5*10**19                            #density of carriers\n",
+      "nh=ne                                   #for intrinsic semiconductor\n",
+      "ue=0.39                                 #mobility of electron\n",
+      "uh=0.19                                 #mobility of hole\n",
+      "\n",
+      "s=ne*e*ue+nh*e*uh                       #conductivity of Ge\n",
+      "ro=1/s                                  #resistivity of Ge\n",
+      "\n",
+      "print\"Resistivity of Ge =\",round(ro,4),\"ohm-m\""
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "Resistivity of Ge = 0.431 ohm-m\n"
+       ]
+      }
+     ],
+     "prompt_number": 6
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.21.6,Page number 2-49"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
+      "\n",
+      "#Given Data:\n",
+      "\n",
+      "c=5*10**28                               #concentration of Si atoms\n",
+      "e=1.6*10**-19                            #charge on electron\n",
+      "u=0.048                                 #mobility of hole\n",
+      "s=4.4*10**-4                             #conductivity of Si\n",
+      "\n",
+      "#since millionth Si atom is replaced by an indium atom\n",
+      "\n",
+      "n=c*10**-6\n",
+      "sp=u*e*n                                #conductivity of resultant\n",
+      "\n",
+      "print\"conductivity =\",sp,\"mho/m\""
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "conductivity = 384.0 mho/m\n"
+       ]
+      }
+     ],
+     "prompt_number": 10
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.21.7,Page number 2-49"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
+      "\n",
+      "#Given Data:\n",
+      "\n",
+      "m=28.1                                  #atomic weight of Si\n",
+      "e=1.6*10**-19                            #charge on electron\n",
+      "N=6.02*10**26                            #Avogadro's number\n",
+      "d=2.4*10**3                              #density of Si\n",
+      "p=0.25                                  #resistivity\n",
+      "\n",
+      "#no. of Si atom/m**3\n",
+      "Ad=N*d/m                                #Atomic density\n",
+      "\n",
+      "#impurity level is 0.01 ppm i.e. 1 atom in every 10**8 atoms of Si\n",
+      "n=Ad/10**8                               #no of impurity atoms\n",
+      "\n",
+      "#since each impurity produce 1 hole\n",
+      "nh=n\n",
+      "print\"1) hole concentration =\",\"{0:.3e}\".format(n),\"holes/m**3\"\n",
+      "up=1/(e*p*nh)\n",
+      "print\"2) mobility =\",round(up,4),\"m**2/volt.sec\"\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "1) hole concentration = 5.142e+20 holes/m**3\n",
+        "2) mobility = 0.0486 m**2/volt.sec\n"
+       ]
+      }
+     ],
+     "prompt_number": 12
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [],
+     "language": "python",
+     "metadata": {},
+     "outputs": []
+    }
+   ],
+   "metadata": {}
+  }
+ ]
+}
\ No newline at end of file
diff --git a/sample_notebooks/ajinkyakhair/chapter2.ipynb b/sample_notebooks/ajinkyakhair/chapter2.ipynb
index 8b221e49..5bd122ad 100755..100644
--- a/sample_notebooks/ajinkyakhair/chapter2.ipynb
+++ b/sample_notebooks/ajinkyakhair/chapter2.ipynb
@@ -1,8 +1,7 @@
 {
  "metadata": {
-  "celltoolbar": "Raw Cell Format",
   "name": "",
-  "signature": "sha256:4fe36e3e0da1a77ee9793bbcdad9ed8d44455b05327e70b42ad389ca8fb3e239"
+  "signature": "sha256:74a00fabf3de3a229499fd336c46d9a546ea42ad7cb4fbe98a92a6ea72f21fa8"
  },
  "nbformat": 3,
  "nbformat_minor": 0,
@@ -14,7 +13,7 @@
      "level": 1,
      "metadata": {},
      "source": [
-      "Chapter 2: Semiconductor Physics"
+      "Chapter 2: Bonding in Solids"
      ]
     },
     {
@@ -22,7 +21,7 @@
      "level": 2,
      "metadata": {},
      "source": [
-      "Example 2.21.1,Page number 2-47"
+      "Example 2.1,Page number 62"
      ]
     },
     {
@@ -31,15 +30,14 @@
      "input": [
       "import math\n",
       "\n",
-      "#Given Data:\n",
-      "\n",
-      "ro=1.72*10**-8                           #resistivity of Cu\n",
-      "s=1/ro                                   #conductivity of Cu\n",
-      "n=10.41*10**28                           #no of electron per unit volume\n",
-      "e=1.6*10**-19                            #charge on electron\n",
-      "\n",
-      "u=s/(n*e)\n",
-      "print\"mobility of electron in Cu =\",round(u,4),\"m**2/volt-sec\""
+      "#Given Data\n",
+      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
+      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
+      "r = 3.147*10**-10;     # Nearest neighbour distance for KCl, m\n",
+      "n = 9.1;    # Repulsive exponent of KCl\n",
+      "A = 1.748;  # Madelung constant for lattice binding energy\n",
+      "E = A*e**2/(4*math.pi*epsilon_0*r)*(n-1)/n/e;     # Binding energy of KCl, eV\n",
+      "print\"The binding energy of KCl = \",round(E,4),\"eV\";\n"
      ],
      "language": "python",
      "metadata": {},
@@ -48,18 +46,18 @@
        "output_type": "stream",
        "stream": "stdout",
        "text": [
-        "mobility of electron in Cu = 0.0035 m**2/volt-sec\n"
+        "The binding energy of KCl =  7.10982502818 eV\n"
        ]
       }
      ],
-     "prompt_number": 2
+     "prompt_number": 5
     },
     {
      "cell_type": "heading",
      "level": 2,
      "metadata": {},
      "source": [
-      "Example 2.21.2,Page number 2-47"
+      "Example 2.2,Page number 62"
      ]
     },
     {
@@ -68,20 +66,56 @@
      "input": [
       "import math\n",
       "\n",
-      "#Given Data:\n",
-      "\n",
-      "m=63.5                                  #atomic weight\n",
-      "u=43.3                                  #mobility of electron\n",
-      "e=1.6*10**-19                            #charge on electron\n",
-      "N=6.02*10**23                            #Avogadro's number\n",
-      "d=8.96                                   #density\n",
+      "#Given Data\n",
       "\n",
-      "Ad=N*d/m                                #Atomic density\n",
-      "n=1*Ad\n",
+      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
+      "N = 6.023*10**23;     # Avogadro's number\n",
+      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
+      "a0 = 5.63*10**-10;      # Lattice parameter of NaCl, m\n",
+      "r0 = a0/2;      # Nearest neighbour distance for NaCl, m\n",
+      "n = 8.4;    # Repulsive exponent of NaCl\n",
+      "A = 1.748;  # Madelung constant for lattice binding energy\n",
+      "E = A*e**2/(4*pi*epsilon_0*r0)*(n-1)/n/e;     # Binding energy of NaCl, eV\n",
+      "print\"The binding energy of NaCl = \",round(E*N*e/(4.186*1000),4),\"kcal/mol\" ;\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "The binding energy of NaCl =  181.1005 kcal/mol\n"
+       ]
+      }
+     ],
+     "prompt_number": 7
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.3,Page number 62"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
       "\n",
-      "ro=1/(n*e*u)\n",
+      "#Given Data\n",
       "\n",
-      "print\"Resistivity of Cu =\",\"{0:.3e}\".format(ro),\"ohm-cm\""
+      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
+      "N = 6.023*10**23;     # Avogadro's number\n",
+      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
+      "E = 162.9*10**3;  # Binding energy of KCl, cal/mol\n",
+      "n = 8.6;    # Repulsive exponent of KCl\n",
+      "A = 1.747;  # Madelung constant for lattice binding energy\n",
+      "# As lattice binding energy, E = A*e**2/(4*%pi*epsilon_0*r0)*(n-1)/n, solving for r0\n",
+      "r0 = A*N*e**2/(4*pi*epsilon_0*E*4.186)*(n-1)/n;     # Nearest neighbour distance of KCl, m\n",
+      "print\"The nearest neighbour distance of KCl = \",round(r0*10**10,4),\"angstorm\";\n"
      ],
      "language": "python",
      "metadata": {},
@@ -90,18 +124,18 @@
        "output_type": "stream",
        "stream": "stdout",
        "text": [
-        "Resistivity of Cu = 1.699e-06 ohm-cm\n"
+        "The nearest neighbour distance of KCl =  3.1376 angstorm\n"
        ]
       }
      ],
-     "prompt_number": 4
+     "prompt_number": 12
     },
     {
      "cell_type": "heading",
      "level": 2,
      "metadata": {},
      "source": [
-      "Example 2.21.3,Page number 2-47"
+      "Example 2.4,Page number 63"
      ]
     },
     {
@@ -110,18 +144,18 @@
      "input": [
       "import math\n",
       "\n",
-      "#Given Data:\n",
+      "#Given Data\n",
       "\n",
-      "e=1.6*10**-19                            #charge on electron\n",
-      "ne=2.5*10**19                            #density of carriers\n",
-      "nh=ne                                   #for intrinsic semiconductor\n",
-      "ue=0.39                                 #mobility of electron\n",
-      "uh=0.19                                 #mobility of hole\n",
+      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
+      "N = 6.023*10**23;     # Avogadro's number\n",
+      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
+      "E = 152*10**3;  # Binding energy of CsCl, cal/mol\n",
+      "n = 10.6;    # Repulsive exponent of CsCl\n",
+      "A = 1.763;  # Madelung constant for lattice binding energy\n",
       "\n",
-      "s=ne*e*ue+nh*e*uh                       #conductivity of Ge\n",
-      "ro=1/s                                  #resistivity of Ge\n",
-      "\n",
-      "print\"Resistivity of Ge =\",round(ro,4),\"ohm-m\""
+      "# As lattice binding energy, E = A*e**2/(4*pi*epsilon_0*r0)*(n-1)/n, solving for r0\n",
+      "r0 = A*N*e**2/(4*pi*epsilon_0*E*4.186)*(n-1)/n;     # Nearest neighbour distance of CsCl, m\n",
+      "print\"The nearest neighbour distance of CsCl = \",round(r0*10**10,4),\"angstrom\";\n"
      ],
      "language": "python",
      "metadata": {},
@@ -130,18 +164,18 @@
        "output_type": "stream",
        "stream": "stdout",
        "text": [
-        "Resistivity of Ge = 0.431 ohm-m\n"
+        "The nearest neighbour distance of CsCl =  3.4776 angstrom\n"
        ]
       }
      ],
-     "prompt_number": 6
+     "prompt_number": 13
     },
     {
      "cell_type": "heading",
      "level": 2,
      "metadata": {},
      "source": [
-      "Example 2.21.6,Page number 2-49"
+      "Example 2.5,Page number 63"
      ]
     },
     {
@@ -150,19 +184,57 @@
      "input": [
       "import math\n",
       "\n",
-      "#Given Data:\n",
+      "#Given Data\n",
       "\n",
-      "c=5*10**28                               #concentration of Si atoms\n",
-      "e=1.6*10**-19                            #charge on electron\n",
-      "u=0.048                                 #mobility of hole\n",
-      "s=4.4*10**-4                             #conductivity of Si\n",
+      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
+      "N = 6.023*10**23;     # Avogadro's number\n",
+      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
+      "r0 = 6.46*10**-10;     # Nearest neighbour distance of NaI\n",
+      "E = 157.1*10**3;  # Binding energy of NaI, cal/mol\n",
+      "A = 1.747;  # Madelung constant for lattice binding energy\n",
       "\n",
-      "#since millionth Si atom is replaced by an indium atom\n",
+      "# As lattice binding energy, E = -A*e**2/(4*pi*epsilon_0*r0)*(n-1)/n, solving for n\n",
+      "n = 1/(1+(4.186*E*4*pi*epsilon_0*r0)/(N*A*e**2));   # Repulsive exponent of NaI\n",
+      "print\"\\nThe repulsive exponent of NaI = \",round(n,4);"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "\n",
+        "The repulsive exponent of NaI =  0.363\n"
+       ]
+      }
+     ],
+     "prompt_number": 15
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.6,Page number 63"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
       "\n",
-      "n=c*10**-6\n",
-      "sp=u*e*n                                #conductivity of resultant\n",
+      "#Given Data\n",
       "\n",
-      "print\"conductivity =\",sp,\"mho/m\""
+      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
+      "a0 = 2.8158*10**-10;     # Nearest neighbour distance of solid\n",
+      "A = 1.747;  # Madelung constant for lattice binding energy\n",
+      "n = 8.6;    # The repulsive exponent of solid\n",
+      "c = 2;  # Structural factor for rocksalt\n",
+      "# As n = 1 + (9*c*a0**4)/(K0*e**2*A), solving for K0\n",
+      "K0 = 9*c*a0**4/((n-1)*e**2*A);        # Compressibility of solid, metre square per newton\n",
+      "print\"The compressibility of the solid = \", \"{0:.3e}\".format(K0),\"metre square per newton\";"
      ],
      "language": "python",
      "metadata": {},
@@ -171,18 +243,18 @@
        "output_type": "stream",
        "stream": "stdout",
        "text": [
-        "conductivity = 384.0 mho/m\n"
+        "The compressibility of the solid =  3.329e-01 metre square per newton\n"
        ]
       }
      ],
-     "prompt_number": 10
+     "prompt_number": 18
     },
     {
      "cell_type": "heading",
      "level": 2,
      "metadata": {},
      "source": [
-      "Example 2.21.7,Page number 2-49"
+      "Example 2.7,Page number 69"
      ]
     },
     {
@@ -191,25 +263,50 @@
      "input": [
       "import math\n",
       "\n",
-      "#Given Data:\n",
+      "#Given Data\n",
       "\n",
-      "m=28.1                                  #atomic weight of Si\n",
-      "e=1.6*10**-19                            #charge on electron\n",
-      "N=6.02*10**26                            #Avogadro's number\n",
-      "d=2.4*10**3                              #density of Si\n",
-      "p=0.25                                  #resistivity\n",
+      "chi_diff = 1;   # Electronegativity difference between the constituent of elements of solid\n",
+      "percent_ion = 100*(1-math.e**(-(0.25*chi_diff**2)));  # Percentage ionic character present in solid given by Pauling\n",
+      "print\"The percentage ionic character present in solid = \",round(percent_ion,2),\"percent \";\n"
+     ],
+     "language": "python",
+     "metadata": {},
+     "outputs": [
+      {
+       "output_type": "stream",
+       "stream": "stdout",
+       "text": [
+        "The percentage ionic character present in solid =  22.12 percent \n"
+       ]
+      }
+     ],
+     "prompt_number": 20
+    },
+    {
+     "cell_type": "heading",
+     "level": 2,
+     "metadata": {},
+     "source": [
+      "Example 2.8,Page number 69"
+     ]
+    },
+    {
+     "cell_type": "code",
+     "collapsed": false,
+     "input": [
+      "import math\n",
       "\n",
-      "#no. of Si atom/m**3\n",
-      "Ad=N*d/m                                #Atomic density\n",
+      "#Given Data\n",
       "\n",
-      "#impurity level is 0.01 ppm i.e. 1 atom in every 10**8 atoms of Si\n",
-      "n=Ad/10**8                               #no of impurity atoms\n",
+      "Eh_GaAs = 4.3;       # Homopolar gap of GaAs compound, eV\n",
+      "C_GaAs = 2.90;      # Ionic gap of GaAs compound, eV\n",
+      "Eh_CdTe = 3.08;      # Homopolar gap of CdTe compound, eV\n",
+      "C_CdTe = 4.90;      # Ionic gap of CdTe compound, eV\n",
       "\n",
-      "#since each impurity produce 1 hole\n",
-      "nh=n\n",
-      "print\"1) hole concentration =\",\"{0:.3e}\".format(n),\"holes/m**3\"\n",
-      "up=1/(e*p*nh)\n",
-      "print\"2) mobility =\",round(up,4),\"m**2/volt.sec\"\n"
+      "fi_GaAs = C_GaAs**2/(Eh_GaAs**2 + C_GaAs**2);\n",
+      "fi_CdTe = C_CdTe**2/(Eh_CdTe**2 + C_CdTe**2);\n",
+      "print\"The fractional ionicity of GaAs = \",round(fi_GaAs,4);\n",
+      "print\"The fractional ionicity of CdTe = \",round(fi_CdTe,4);\n"
      ],
      "language": "python",
      "metadata": {},
@@ -218,12 +315,12 @@
        "output_type": "stream",
        "stream": "stdout",
        "text": [
-        "1) hole concentration = 5.142e+20 holes/m**3\n",
-        "2) mobility = 0.0486 m**2/volt.sec\n"
+        "The fractional ionicity of GaAs =  0.3126\n",
+        "The fractional ionicity of CdTe =  0.7168\n"
        ]
       }
      ],
-     "prompt_number": 12
+     "prompt_number": 3
     },
     {
      "cell_type": "code",
diff --git a/sample_notebooks/ajinkyakhair/chapter2_8f8MyfH.ipynb b/sample_notebooks/ajinkyakhair/chapter2_8f8MyfH.ipynb
deleted file mode 100644
index 5bd122ad..00000000
--- a/sample_notebooks/ajinkyakhair/chapter2_8f8MyfH.ipynb
+++ /dev/null
@@ -1,337 +0,0 @@
-{
- "metadata": {
-  "name": "",
-  "signature": "sha256:74a00fabf3de3a229499fd336c46d9a546ea42ad7cb4fbe98a92a6ea72f21fa8"
- },
- "nbformat": 3,
- "nbformat_minor": 0,
- "worksheets": [
-  {
-   "cells": [
-    {
-     "cell_type": "heading",
-     "level": 1,
-     "metadata": {},
-     "source": [
-      "Chapter 2: Bonding in Solids"
-     ]
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.1,Page number 62"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
-      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
-      "r = 3.147*10**-10;     # Nearest neighbour distance for KCl, m\n",
-      "n = 9.1;    # Repulsive exponent of KCl\n",
-      "A = 1.748;  # Madelung constant for lattice binding energy\n",
-      "E = A*e**2/(4*math.pi*epsilon_0*r)*(n-1)/n/e;     # Binding energy of KCl, eV\n",
-      "print\"The binding energy of KCl = \",round(E,4),\"eV\";\n"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The binding energy of KCl =  7.10982502818 eV\n"
-       ]
-      }
-     ],
-     "prompt_number": 5
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.2,Page number 62"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
-      "N = 6.023*10**23;     # Avogadro's number\n",
-      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
-      "a0 = 5.63*10**-10;      # Lattice parameter of NaCl, m\n",
-      "r0 = a0/2;      # Nearest neighbour distance for NaCl, m\n",
-      "n = 8.4;    # Repulsive exponent of NaCl\n",
-      "A = 1.748;  # Madelung constant for lattice binding energy\n",
-      "E = A*e**2/(4*pi*epsilon_0*r0)*(n-1)/n/e;     # Binding energy of NaCl, eV\n",
-      "print\"The binding energy of NaCl = \",round(E*N*e/(4.186*1000),4),\"kcal/mol\" ;\n"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The binding energy of NaCl =  181.1005 kcal/mol\n"
-       ]
-      }
-     ],
-     "prompt_number": 7
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.3,Page number 62"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
-      "N = 6.023*10**23;     # Avogadro's number\n",
-      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
-      "E = 162.9*10**3;  # Binding energy of KCl, cal/mol\n",
-      "n = 8.6;    # Repulsive exponent of KCl\n",
-      "A = 1.747;  # Madelung constant for lattice binding energy\n",
-      "# As lattice binding energy, E = A*e**2/(4*%pi*epsilon_0*r0)*(n-1)/n, solving for r0\n",
-      "r0 = A*N*e**2/(4*pi*epsilon_0*E*4.186)*(n-1)/n;     # Nearest neighbour distance of KCl, m\n",
-      "print\"The nearest neighbour distance of KCl = \",round(r0*10**10,4),\"angstorm\";\n"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The nearest neighbour distance of KCl =  3.1376 angstorm\n"
-       ]
-      }
-     ],
-     "prompt_number": 12
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.4,Page number 63"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
-      "N = 6.023*10**23;     # Avogadro's number\n",
-      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
-      "E = 152*10**3;  # Binding energy of CsCl, cal/mol\n",
-      "n = 10.6;    # Repulsive exponent of CsCl\n",
-      "A = 1.763;  # Madelung constant for lattice binding energy\n",
-      "\n",
-      "# As lattice binding energy, E = A*e**2/(4*pi*epsilon_0*r0)*(n-1)/n, solving for r0\n",
-      "r0 = A*N*e**2/(4*pi*epsilon_0*E*4.186)*(n-1)/n;     # Nearest neighbour distance of CsCl, m\n",
-      "print\"The nearest neighbour distance of CsCl = \",round(r0*10**10,4),\"angstrom\";\n"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The nearest neighbour distance of CsCl =  3.4776 angstrom\n"
-       ]
-      }
-     ],
-     "prompt_number": 13
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.5,Page number 63"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "epsilon_0 = 8.854*10**-12; # Absolute electrical permittivity of free space, F/m\n",
-      "N = 6.023*10**23;     # Avogadro's number\n",
-      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
-      "r0 = 6.46*10**-10;     # Nearest neighbour distance of NaI\n",
-      "E = 157.1*10**3;  # Binding energy of NaI, cal/mol\n",
-      "A = 1.747;  # Madelung constant for lattice binding energy\n",
-      "\n",
-      "# As lattice binding energy, E = -A*e**2/(4*pi*epsilon_0*r0)*(n-1)/n, solving for n\n",
-      "n = 1/(1+(4.186*E*4*pi*epsilon_0*r0)/(N*A*e**2));   # Repulsive exponent of NaI\n",
-      "print\"\\nThe repulsive exponent of NaI = \",round(n,4);"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "\n",
-        "The repulsive exponent of NaI =  0.363\n"
-       ]
-      }
-     ],
-     "prompt_number": 15
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.6,Page number 63"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "e = 1.6*10**-19;   # Energy equivalent of 1 eV, eV/J\n",
-      "a0 = 2.8158*10**-10;     # Nearest neighbour distance of solid\n",
-      "A = 1.747;  # Madelung constant for lattice binding energy\n",
-      "n = 8.6;    # The repulsive exponent of solid\n",
-      "c = 2;  # Structural factor for rocksalt\n",
-      "# As n = 1 + (9*c*a0**4)/(K0*e**2*A), solving for K0\n",
-      "K0 = 9*c*a0**4/((n-1)*e**2*A);        # Compressibility of solid, metre square per newton\n",
-      "print\"The compressibility of the solid = \", \"{0:.3e}\".format(K0),\"metre square per newton\";"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The compressibility of the solid =  3.329e-01 metre square per newton\n"
-       ]
-      }
-     ],
-     "prompt_number": 18
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.7,Page number 69"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "chi_diff = 1;   # Electronegativity difference between the constituent of elements of solid\n",
-      "percent_ion = 100*(1-math.e**(-(0.25*chi_diff**2)));  # Percentage ionic character present in solid given by Pauling\n",
-      "print\"The percentage ionic character present in solid = \",round(percent_ion,2),\"percent \";\n"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The percentage ionic character present in solid =  22.12 percent \n"
-       ]
-      }
-     ],
-     "prompt_number": 20
-    },
-    {
-     "cell_type": "heading",
-     "level": 2,
-     "metadata": {},
-     "source": [
-      "Example 2.8,Page number 69"
-     ]
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [
-      "import math\n",
-      "\n",
-      "#Given Data\n",
-      "\n",
-      "Eh_GaAs = 4.3;       # Homopolar gap of GaAs compound, eV\n",
-      "C_GaAs = 2.90;      # Ionic gap of GaAs compound, eV\n",
-      "Eh_CdTe = 3.08;      # Homopolar gap of CdTe compound, eV\n",
-      "C_CdTe = 4.90;      # Ionic gap of CdTe compound, eV\n",
-      "\n",
-      "fi_GaAs = C_GaAs**2/(Eh_GaAs**2 + C_GaAs**2);\n",
-      "fi_CdTe = C_CdTe**2/(Eh_CdTe**2 + C_CdTe**2);\n",
-      "print\"The fractional ionicity of GaAs = \",round(fi_GaAs,4);\n",
-      "print\"The fractional ionicity of CdTe = \",round(fi_CdTe,4);\n"
-     ],
-     "language": "python",
-     "metadata": {},
-     "outputs": [
-      {
-       "output_type": "stream",
-       "stream": "stdout",
-       "text": [
-        "The fractional ionicity of GaAs =  0.3126\n",
-        "The fractional ionicity of CdTe =  0.7168\n"
-       ]
-      }
-     ],
-     "prompt_number": 3
-    },
-    {
-     "cell_type": "code",
-     "collapsed": false,
-     "input": [],
-     "language": "python",
-     "metadata": {},
-     "outputs": []
-    }
-   ],
-   "metadata": {}
-  }
- ]
-}
\ No newline at end of file