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-{
- "cells": [
- {
- "cell_type": "markdown",
- "metadata": {
- "collapsed": true
- },
- "source": [
- "# Chapter 1:Crystal Structure,Bonding and Defects in solids"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {
- "collapsed": true
- },
- "source": [
- "# Example 1.1,Page No:1.8"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 27,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "Lattice Constant a = 4.00 Å\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "\n",
- "p = 6250; # Density of crystal in kg/m**3\n",
- "N = 6.023*10**26; #Avagadros number in atoms/kilomole\n",
- "M = 60.2; #molecular weight per mole\n",
- "n = 4; #No. of atoms per unit cell for FCC\n",
- "\n",
- "#Calculations\n",
- "\n",
- "a = ((n*M)/float(N*p))**(1/float(3)); #Lattice Constant Å\n",
- "\n",
- "#result\n",
- "\n",
- "print'Lattice Constant a = %3.2f'%(a*10**10),'Å';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Example 1.2,Page No:1.8"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 28,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "d100 = 6.30 Å\n",
- "d110 = 4.45 Å\n",
- "d111 = 3.64 Å\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "h1 = 1; #miller indice\n",
- "k1 = 1; # miller indice\n",
- "l1 = 1; # miller indice\n",
- "h0 = 0; # miller indice\n",
- "k0 = 0; # miller indice\n",
- "l0 = 0; # miller indice\n",
- "p = 1980; # Density of KCl in kg/m**3\n",
- "N = 6.023*10**26; # Avagadros number in atoms/kilomole\n",
- "M = 74.5; # molecular weight of KCl\n",
- "n = 4; # No. of atoms per unit cell for FCC\n",
- "\n",
- "# calculations\n",
- "a = ((n*M)/float(N*p))**(1/float(3));\n",
- "\n",
- "#dhkl = a/math.sqrt((h**2)+(k**2)+(l**2)); #interplanar distance\n",
- "d100 = a/math.sqrt((h1**2)+(k0**2)+(l0**2)); # interplanar distance\n",
- "d110 = a/math.sqrt((h1**2)+(k1**2)+(l0**2)); # interplanar distance\n",
- "d111 = a/math.sqrt((h1**2)+(k1**2)+(l1**2)); # interplanar distance\n",
- "\n",
- "# Output\n",
- "print'd100 = %3.2f'%(d100*10**10),'Å';\n",
- "print'd110 = %3.2f'%(d110*10**10),'Å';\n",
- "print'd111 = %3.2f'%(d111*10**10),'Å';\n"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Example 1.3,Page No:1.9"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 29,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "miller indices = 1 4 2\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "import fractions\n",
- "\n",
- "#variable declaration\n",
- "h = 4; #miller indices\n",
- "k = 1; #miller indices\n",
- "l = 2; #miller indices\n",
- " \n",
- "#calculation\n",
- "d = fractions.gcd(h,k);\n",
- "lcm = (h*k)/float(d);\n",
- "e = fractions.gcd(lcm,l);\n",
- "lc = (lcm*l)/float(e); #finding lcm\n",
- "h1 =1/float(h); \n",
- "k1 =1/float(k);\n",
- "l1 =1/float(l);\n",
- "a = h1*lc; #miller indices\n",
- "b = k1*lc; #miller indices\n",
- "c = l1*lc; #miller indices\n",
- "\n",
- "#result\n",
- "print'miller indices = %d '%a,'%d'%b,'%d'%c;"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Example 1.4,Page No:1.10"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 30,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "miller indices = 4 3 6\n"
- ]
- }
- ],
- "source": [
- "import fractions\n",
- "\n",
- "#variable declaration\n",
- "#intercepts given are 3a,4b,2c\n",
- "#from the law of rational indices\n",
- "#3a:4b:2c=a/h:b/k:c/l\n",
- "\n",
- "#Variable Declaration\n",
- "h1 = 3; #miller indices\n",
- "k1 = 4; #miller indices\n",
- "l1 = 2; #miller indices\n",
- " \n",
- "#calculation\n",
- "d = fractions.gcd(h1,k1);\n",
- "lcm = (h1*k1)/float(d);\n",
- "e = fractions.gcd(lcm,l1);\n",
- "lc = (lcm*l1)/float(e); #finding lcm\n",
- "\n",
- "h = lc*1/float(h1); #miller indices \n",
- "k = lc*1/float(k1); #miller indices\n",
- "l= lc*1/float(l1); #miller indices\n",
- "\n",
- "#result\n",
- "print'miller indices = %d'%h,'%d'%k,'%d'%l;\n",
- " \n",
- "\n",
- "\n"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Example 1.5,Page No:1.10"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 31,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "miller indices = 6 3 -4\n"
- ]
- }
- ],
- "source": [
- "import fractions\n",
- "\n",
- "#variable declaration\n",
- "#intercepts given are a,2b,-3c/2\n",
- "#from the law of rational indices\n",
- "#a:2b:-3c/2=a/h:b/k:c/l\n",
- "\n",
- "\n",
- "#variable declaration\n",
- "h1 = 1; #miller indices\n",
- "k1 = 2; #miller indices\n",
- "l1 = 3; #miller indices \n",
- "\n",
- "#calculation\n",
- "d = fractions.gcd(h1,k1);\n",
- "lcm = (h1*k1)/float(d);\n",
- "e = fractions.gcd(lcm,l1);\n",
- "lc = (lcm*l1)/float(e);\n",
- "h2 = 1;\n",
- "k2 = 1/float(k1);\n",
- "l2 = -2/float(l1)\n",
- "h = h2*lc; #miller indices \n",
- "k = (k2)*(lc); #miller indices \n",
- "l = (l2)*(lc); #miller indices \n",
- "\n",
- "#result\n",
- "print'miller indices = %3.0f'%h,'%3.0f'%k,'%3.0f'%l;\n"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Example 1.6,Page No:1.11"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 32,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "miller indices = 1 1 2\n",
- "Note:printing mistake of miller indices in textbook \n",
- "\n",
- "\n",
- "miller indices = 1 2 0\n",
- "\n",
- "miller indices = 1 2 1\n",
- "Note:calculation mistake in textbook\n",
- "\n"
- ]
- }
- ],
- "source": [
- "import fractions\n",
- "\n",
- "#variable declaration\n",
- "#intercepts given are 3a,3b,2c\n",
- "#from the law of rational indices\n",
- "#3a:3b:2c=a/h:b/k:c/l\n",
- "#variable declaration\n",
- "a = 4;\n",
- "b = 4;\n",
- "c = 2;\n",
- "a1 = 2;\n",
- "b1 = 1;\n",
- "c1 = 1;\n",
- "a3 = 1;\n",
- "b3 = 1;\n",
- "c3 = 1;\n",
- "h12 = 1/float(2); #miller indices\n",
- "k12 = 1; #miller indices\n",
- "#l12 = 1/math.inf; #miller indices\n",
- "l12 =0;\n",
- "h13 = 1; #miller indices\n",
- "k13 = 2; #miller indices\n",
- "l13 = 1; #miller indices\n",
- "\n",
- "\n",
- "#calculation\n",
- "d = fractions.gcd(a,b);\n",
- "lcm = (a*b)/float(d);\n",
- "e = fractions.gcd(lcm,c);\n",
- "lc = (lcm*c)/float(e); #finding lcm \n",
- "h1 = 1/float(4); #miller indices\n",
- "k1 = 1/float(4); #miller indices\n",
- "l1 = 1/float(2); #miller indices\n",
- "h = h1*(lc); #miller indices\n",
- "k = (k1)*(lc); #miller indices\n",
- "l = (l1)*(lc); #miller indices\n",
- "\n",
- "d = fractions.gcd(a1,b1);\n",
- "lcm = (a1*b1)/float(d);\n",
- "e = fractions.gcd(lcm,c1);\n",
- "lc1 = (lcm*c1)/float(e);\n",
- "# 1/%inf = 0 ; (1/2 1/1 0/1) hence lcm is taken for [2 1 1]\n",
- "h3 = h12*(lc1); #miller indices\n",
- "k3 = (k12)*(lc1); #miller indices\n",
- "l3 = (l12)*(lc1); #miller indices\n",
- "\n",
- "\n",
- "d = fractions.gcd(a3,b3);\n",
- "lcm = (a3*b3)/float(d);\n",
- "e = fractions.gcd(lcm,c3);\n",
- "lc2 = (lcm*c3)/float(e);\n",
- "h4 = h13*(lc2); #miller indices\n",
- "k4 = k13*(lc2); #miller indices\n",
- "l4 = l13*(lc2); #miller indices\n",
- "\n",
- "\n",
- "\n",
- "#result\n",
- "print'miller indices = %d'%h,'%d'%k,'%d'%l;\n",
- "print'Note:printing mistake of miller indices in textbook \\n';\n",
- "print'\\nmiller indices = %d'%h3,'%d'%k3,'%d'%l3;\n",
- "print'\\nmiller indices = %d'%h4,'%d'%k4,'%d'%lc2;\n",
- "print'Note:calculation mistake in textbook\\n';\n",
- "\n"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.7,Page No:1.16"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 1,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "d100 = 1.00 a\n",
- "d111 = 0.58 a\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "h = 1; #miller indices\n",
- "k = 0; #miller indices\n",
- "l = 0; #miller indices\n",
- "h1 = 1; #miller indices\n",
- "k1 = 1; #miller indices\n",
- "l1 = 1; #miller indices\n",
- "\n",
- "#calculations\n",
- "d100 = 1/float(math.sqrt((h**2)+(k**2)+(l**2)));\n",
- "d111 = 1/float(math.sqrt((h1**2)+(k1**2)+(l1**2)));\n",
- "\n",
- "#result\n",
- "print'd100 = %3.2f a'%d100;\n",
- "print'd111 = %3.2f a'%d111;"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "# Example 1.8,Page No:1.16"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 34,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "miller indices = 2 1 0\n",
- "interplanar distance is =4.47 Å\n"
- ]
- }
- ],
- "source": [
- "import fractions\n",
- "\n",
- "#variable declaration\n",
- "#intercepts given are a,2b,-3c/2\n",
- "#from the law of rational indices\n",
- "#a:2b:-3c/2=a/h:b/k:c/l\n",
- "\n",
- "\n",
- "#variable declaration\n",
- "h1 = 1;\n",
- "k1 = 2;\n",
- "l1 = 1;\n",
- "a = 10*10**-9; \n",
- "\n",
- "#calculation\n",
- "h12 = 1; #miller indices\n",
- "k12 = 1/float(k1); #miller indices\n",
- "l12 = 0; #miller indices\n",
- "\n",
- "#1/%inf = 0 ; (1/2 1/1 0/1) hence lcm is taken for [2 1 1]\n",
- "d = fractions.gcd(h1,k1);\n",
- "lcm = (h1*k1)/float(d);\n",
- "e = fractions.gcd(lcm,l1);\n",
- "lc = (lcm*l1)/float(e);\n",
- "h = h12*(lcm); #miller indices\n",
- "k = (k12)*(lcm); #miller indices\n",
- "l = (l12)*(lcm); #miller indices\n",
- "d = a/float(((h**2)+(k**2)+(l**2))**(1/float(2)));\n",
- "\n",
- "\n",
- "#result\n",
- "print'miller indices = %d'%h,'%d'%k,'%d'%l;\n",
- "print'interplanar distance is =%3.2f'%(d*10**9),'Å';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.9,Page No:1.17"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 35,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "inter planar spacing =1.32e-10 m/n\n",
- "Note : calculation mistake in textbook in calculating in dhkl,r value istaken as 0.125*10**-9 instead of 0.175*10**-9 \n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable Declaration\n",
- "\n",
- "r = 0.175*10**-9; #radius in m\n",
- "h = 2; #miller indices\n",
- "k = 3; #miller indices\n",
- "l = 1; #miller indices\n",
- "\n",
- "#calculation\n",
- "a = (4*r)/math.sqrt(2);\n",
- "dhkl = a/float(math.sqrt((h**2)+(k**2)+(l**2)));\n",
- " \n",
- "#result\n",
- "print'inter planar spacing =%3.2e'%dhkl,'m/n';\n",
- "print'Note : calculation mistake in textbook in calculating in dhkl,r value istaken as 0.125*10**-9 instead of 0.175*10**-9 ';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.10,Page No:1.17"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 36,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "distance between two atoms =1.732 Å\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "a = 4; #lattice constant in Å\n",
- "\n",
- "#calculation\n",
- "d = (math.sqrt(3)*a)/float(4); #distance between two atoms in Å\n",
- " \n",
- "#result\n",
- "print'distance between two atoms =%3.3f'%d,'Å';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {
- "collapsed": true
- },
- "source": [
- "#Example 1.11,Page No:1.20"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 37,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "wavelength=0.431 Å\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "d = 1.41; #lattice constant in Å\n",
- "theta = 8.8; # angle in degrees\n",
- "n = 1;\n",
- "\n",
- "#calculation\n",
- "\n",
- "lamda = (2*d*(math.sin(theta*math.pi/float(180))))/float(n); #wavelength in Å\n",
- "\n",
- "\n",
- "#result\n",
- "print'wavelength=%3.3f'%lamda,'Å';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.12,Page No:1.21"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 38,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "wavelength =0.7822 Å\n",
- "glancing angle =18.2 °\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "d = 2.5; #spacing in angstroms\n",
- "theta = 9; #glancing angle in degrees\n",
- "n1 = 1;\n",
- "n2 = 2;\n",
- "\n",
- "\n",
- "#calculation\n",
- "lamda = (2*math.sin(theta*(math.pi/180))*d); #wavelength Å\n",
- "theta = math.asin((2*lamda)/float(2*d)); #glancing angle in °\n",
- "\n",
- "#result\n",
- "print'wavelength =%3.4f'%lamda,'Å';\n",
- "print'glancing angle =%3.1f'%(theta*(180/math.pi)),'°';\n"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.13,Page No:1.21"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 39,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "lattice constant=1.15 Å\n",
- "note:printing mistake in textbook in calculation part,n value is printed as 2\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "lamda = 2; #wavelength in angstroms\n",
- "theta1 = 60; #angle in degrees\n",
- "n = 1;\n",
- " \n",
- "#formula\n",
- "#2*d*math.sin(theta)=n*lamda\n",
- "#calculation\n",
- "d = (n*lamda)/(2*math.sin(theta1*math.pi/float(180))); #lattice constant in Å\n",
- "\n",
- "#result\n",
- "print'lattice constant=%3.2f'%d,'Å';\n",
- "print'note:printing mistake in textbook in calculation part,n value is printed as 2';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.14,Page No:1.21"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 40,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "angle=37.32 °\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "lamda = 1.4*10**-10; #wavelength in angstroms\n",
- "a = 2*10**-10; #lattice parameter in angstroms\n",
- "h = 1; #miller indices\n",
- "k = 1; #miller indices\n",
- "l = 1; #miller indices\n",
- "n = 1;\n",
- "#formula\n",
- "#2*d*math.sin(theta)=n*lamda\n",
- "\n",
- "#calculation\n",
- "\n",
- "dhkl = a/float(math.sqrt((h**2)+(k**2)+(l**2))); #inter planar spacing\n",
- "theta = math.asin((n*lamda)/float(2*dhkl)); #angle in °\n",
- "\n",
- "#result\n",
- "print'angle=%3.2f'%(theta*(180/float(math.pi))),'°';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.15,Page No:1.22"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 41,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "wavelength of neutron =7.33e+02 m/n\n",
- " Note:calculation mistake in text book in calculating wavelength \n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variabledeclaration\n",
- "d = 3.84 *10**-10; #spacing between planes in m\n",
- "theta = 45; #glancing angle in degrees\n",
- "m = 1.67*10**-27; #mass ef electron\n",
- "h = 6.62*10**-34; #planck's constant\n",
- "n = 1; #braggg reflextion \n",
- "v = 5.41*10**-10;\n",
- " \n",
- "#calculation\n",
- "#lamda = 2*d*(1/math.sqrt(2));\n",
- "lamda = (n*h)/float(m*v); #wavelength of neutron\n",
- "\n",
- "#result\n",
- "print'wavelength of neutron =%3.2e'%lamda,'m/n';\n",
- "print' Note:calculation mistake in text book in calculating wavelength ';"
- ]
- },
- {
- "cell_type": "markdown",
- "metadata": {},
- "source": [
- "#Example 1.16,Page No:1.22"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": 42,
- "metadata": {
- "collapsed": false
- },
- "outputs": [
- {
- "name": "stdout",
- "output_type": "stream",
- "text": [
- "lattice parameter = 2 Å\n"
- ]
- }
- ],
- "source": [
- "import math\n",
- "\n",
- "#variable declaration\n",
- "m = 9.1*10**-31; # mass of electron in kilograms\n",
- "e = 1.6*10**-19; #charge of electron in coulombs\n",
- "n = 1; #bragg's reflection\n",
- "h1 = 6.62*10**-34; #planck's constant J.s\n",
- "n = 1; #bragg reflecton \n",
- "V = 200; #voltage in V\n",
- "theta = 22; #observed reflection\n",
- " \n",
- "#calculation\n",
- "\n",
- "lamda = h1/math.sqrt(2*m*e*V);\n",
- "dhkl = (n*lamda)/float(2*math.sin(theta*math.pi/180));\n",
- "a = dhkl*math.sqrt(3); #lattice parameter in Å\n",
- " \n",
- "#result\n",
- " \n",
- "print'lattice parameter =%3.0f'%(a*10**10),'Å';"
- ]
- },
- {
- "cell_type": "code",
- "execution_count": null,
- "metadata": {
- "collapsed": true
- },
- "outputs": [],
- "source": []
- },
- {
- "cell_type": "code",
- "execution_count": null,
- "metadata": {
- "collapsed": true
- },
- "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
-}