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author | kinitrupti | 2017-05-12 18:40:35 +0530 |
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committer | kinitrupti | 2017-05-12 18:40:35 +0530 |
commit | d36fc3b8f88cc3108ffff6151e376b619b9abb01 (patch) | |
tree | 9806b0d68a708d2cfc4efc8ae3751423c56b7721 /hfgd_by_df | |
parent | 1b1bb67e9ea912be5c8591523c8b328766e3680f (diff) | |
download | Python-Textbook-Companions-d36fc3b8f88cc3108ffff6151e376b619b9abb01.tar.gz Python-Textbook-Companions-d36fc3b8f88cc3108ffff6151e376b619b9abb01.tar.bz2 Python-Textbook-Companions-d36fc3b8f88cc3108ffff6151e376b619b9abb01.zip |
Revised list of TBCs
Diffstat (limited to 'hfgd_by_df')
-rw-r--r-- | hfgd_by_df/README.txt | 10 | ||||
-rw-r--r-- | hfgd_by_df/ajinkya.ipynb | 339 | ||||
-rw-r--r-- | hfgd_by_df/ajinkya_HykpzE0.ipynb | 339 | ||||
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diff --git a/hfgd_by_df/README.txt b/hfgd_by_df/README.txt deleted file mode 100644 index 61f29da3..00000000 --- a/hfgd_by_df/README.txt +++ /dev/null @@ -1,10 +0,0 @@ -Contributed By: asmita asmita -Course: mtech -College/Institute/Organization: sd -Department/Designation: sd -Book Title: hfgd -Author: df -Publisher: 5 -Year of publication: 2 -Isbn: 3 -Edition: 3
\ No newline at end of file diff --git a/hfgd_by_df/ajinkya.ipynb b/hfgd_by_df/ajinkya.ipynb deleted file mode 100644 index 2d3ace64..00000000 --- a/hfgd_by_df/ajinkya.ipynb +++ /dev/null @@ -1,339 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Chapter 2: Bonding in Solids" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.1,Page number 62" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The binding energy of KCl = 7.10982502818 eV\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.2,Page number 62" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The binding energy of NaCl = 181.1005 kcal/mol\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.3,Page number 62" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The nearest neighbour distance of KCl = 3.1376 angstorm\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.4,Page number 63" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The nearest neighbour distance of CsCl = 3.4776 angstrom\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.5,Page number 63" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "The repulsive exponent of NaI = 0.363\n" - ] - } - ], - "source": [ - "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);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.6,Page number 63" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The compressibility of the solid = 3.329e-01 metre square per newton\n" - ] - } - ], - "source": [ - "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\";" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.7,Page number 69" - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The percentage ionic character present in solid = 22.12 percent \n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.8,Page number 69" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The fractional ionicity of GaAs = 0.3126\n", - "The fractional ionicity of CdTe = 0.7168\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": { - "collapsed": false - }, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 2", - "language": "python", - "name": "python2" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 2 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython2", - "version": "2.7.6" - } - }, - "nbformat": 4, - "nbformat_minor": 0 -} diff --git a/hfgd_by_df/ajinkya_HykpzE0.ipynb b/hfgd_by_df/ajinkya_HykpzE0.ipynb deleted file mode 100644 index 2d3ace64..00000000 --- a/hfgd_by_df/ajinkya_HykpzE0.ipynb +++ /dev/null @@ -1,339 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Chapter 2: Bonding in Solids" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.1,Page number 62" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The binding energy of KCl = 7.10982502818 eV\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.2,Page number 62" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The binding energy of NaCl = 181.1005 kcal/mol\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.3,Page number 62" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The nearest neighbour distance of KCl = 3.1376 angstorm\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.4,Page number 63" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The nearest neighbour distance of CsCl = 3.4776 angstrom\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.5,Page number 63" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "The repulsive exponent of NaI = 0.363\n" - ] - } - ], - "source": [ - "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);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.6,Page number 63" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The compressibility of the solid = 3.329e-01 metre square per newton\n" - ] - } - ], - "source": [ - "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\";" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.7,Page number 69" - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The percentage ionic character present in solid = 22.12 percent \n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Example 2.8,Page number 69" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": { - "collapsed": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The fractional ionicity of GaAs = 0.3126\n", - "The fractional ionicity of CdTe = 0.7168\n" - ] - } - ], - "source": [ - "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" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": { - "collapsed": false - }, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 2", - "language": "python", - "name": "python2" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 2 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython2", - "version": "2.7.6" - } - }, - "nbformat": 4, - "nbformat_minor": 0 -} diff --git a/hfgd_by_df/screenshots/anshul.png b/hfgd_by_df/screenshots/anshul.png Binary files differdeleted file mode 100644 index a8cec645..00000000 --- a/hfgd_by_df/screenshots/anshul.png +++ /dev/null diff --git a/hfgd_by_df/screenshots/anshul_AsDoISP.png b/hfgd_by_df/screenshots/anshul_AsDoISP.png Binary files differdeleted file mode 100644 index a8cec645..00000000 --- a/hfgd_by_df/screenshots/anshul_AsDoISP.png +++ /dev/null diff --git a/hfgd_by_df/screenshots/anshul_EGoOQUe.png b/hfgd_by_df/screenshots/anshul_EGoOQUe.png Binary files differdeleted file mode 100644 index a8cec645..00000000 --- a/hfgd_by_df/screenshots/anshul_EGoOQUe.png +++ /dev/null diff --git a/hfgd_by_df/screenshots/anshul_PV3oNIg.png b/hfgd_by_df/screenshots/anshul_PV3oNIg.png Binary files differdeleted file mode 100644 index a8cec645..00000000 --- a/hfgd_by_df/screenshots/anshul_PV3oNIg.png +++ /dev/null diff --git a/hfgd_by_df/screenshots/anshul_btLWUZA.png b/hfgd_by_df/screenshots/anshul_btLWUZA.png Binary files differdeleted file mode 100644 index a8cec645..00000000 --- a/hfgd_by_df/screenshots/anshul_btLWUZA.png +++ /dev/null diff --git a/hfgd_by_df/screenshots/anshul_nuomq32.png b/hfgd_by_df/screenshots/anshul_nuomq32.png Binary files differdeleted file mode 100644 index a8cec645..00000000 --- a/hfgd_by_df/screenshots/anshul_nuomq32.png +++ /dev/null |