Preface |
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xiii | |
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Strain and stress in continuous media |
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1 | (21) |
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1 | (1) |
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Deformation: strain and rotation |
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2 | (5) |
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4 | (2) |
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6 | (1) |
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7 | (3) |
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10 | (10) |
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12 | (1) |
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13 | (3) |
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16 | (2) |
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18 | (2) |
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20 | (2) |
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Wave propagation in continuous media |
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22 | (12) |
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22 | (1) |
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22 | (2) |
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24 | (3) |
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27 | (7) |
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Shear and rotational waves |
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27 | (1) |
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Dilatational or irrotational waves |
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28 | (2) |
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30 | (1) |
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31 | (3) |
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Thermal properties of continuous media |
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34 | (14) |
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34 | (1) |
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34 | (4) |
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34 | (1) |
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Elastic constants, bulk moduli and specific heats |
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35 | (3) |
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Thermal conduction and wave motion |
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38 | (3) |
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Wave attenuation by thermal conduction |
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41 | (7) |
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48 | (9) |
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48 | (1) |
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49 | (1) |
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50 | (1) |
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51 | (3) |
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Character of the wave motion |
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54 | (3) |
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57 | (16) |
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57 | (1) |
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Description of dislocations |
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57 | (5) |
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Deformation fields of dislocations |
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62 | (7) |
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63 | (2) |
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65 | (4) |
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Uniform dislocation motion |
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69 | (2) |
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Further study of dislocations |
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71 | (2) |
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Classical theory of the polaron |
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73 | (17) |
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73 | (1) |
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74 | (4) |
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The constant-velocity polaron |
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78 | (8) |
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Polaron in a magnetic field: quantization |
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86 | (4) |
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Atomistic quantum theory of solids |
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90 | (19) |
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90 | (1) |
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The hamiltonian of a solid |
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90 | (1) |
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Nuclear dynamics: the adiabatic approximation |
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91 | (2) |
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The harmonic approximation |
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93 | (1) |
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94 | (9) |
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Periodic boundary conditions for bulk properties |
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94 | (3) |
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The dynamical matrix of the crystal |
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97 | (3) |
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The normal modes of crystal vibration |
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100 | (2) |
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Electrons and phonons: total energy |
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102 | (1) |
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Statistical thermodynamics of a solid |
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103 | (5) |
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Partition function of the crystal |
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104 | (1) |
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Equation of state of the crystal |
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105 | (2) |
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Thermodynamic internal energy of the crystal; phonons as bosons |
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107 | (1) |
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108 | (1) |
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109 | (17) |
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109 | (1) |
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110 | (6) |
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116 | (5) |
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Localized mode of a point defect |
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121 | (5) |
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Classical atomistic modelling of crystals |
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126 | (14) |
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126 | (1) |
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The shell model for insulating crystals |
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126 | (3) |
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Cohesive energy of a crystal |
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129 | (2) |
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131 | (4) |
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Dielectric and piezoelectric constants |
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135 | (5) |
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Classical atomic diffusion in solids |
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140 | (23) |
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140 | (1) |
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141 | (6) |
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141 | (3) |
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144 | (3) |
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Diffusion as a random walk |
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147 | (4) |
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Equilibrium concentration of point defects |
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151 | (3) |
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Temperature dependence of diffusion: the Vineyard relation |
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154 | (9) |
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Appendix to Chapter 10: Stirling's formula |
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161 | (2) |
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Point defects in crystals |
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163 | (33) |
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163 | (5) |
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163 | (2) |
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Modelling of point defects in ionic crystals |
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165 | (3) |
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168 | (5) |
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Copper and silver diffusion in alkali halides |
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168 | (3) |
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Dissociation of the oxygen-vacancy defect complex in BaF2 |
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171 | (2) |
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173 | (3) |
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Impurity charge-state stability |
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176 | (1) |
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176 | (1) |
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177 | (1) |
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177 | (4) |
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Frenkel exciton and impurity absorption in MgO |
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178 | (1) |
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179 | (1) |
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179 | (2) |
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181 | (2) |
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181 | (1) |
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182 | (1) |
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182 | (1) |
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Local band-edge modification |
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183 | (2) |
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Valence band edge in NiO: Li |
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183 | (1) |
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Conduction band edge in BaF2: O- |
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184 | (1) |
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185 | (2) |
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187 | (2) |
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Effective force constants for local modes |
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189 | (1) |
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190 | (6) |
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Appendix to Chapter 11: the ICECAP method |
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193 | (3) |
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Theoretical foundations of molecular cluster computations |
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196 | (54) |
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196 | (1) |
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Hartree--Fock approximation |
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197 | (11) |
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197 | (4) |
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201 | (1) |
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202 | (2) |
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Charge density and exchange charge |
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204 | (3) |
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The single-particle density functional |
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207 | (1) |
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208 | (10) |
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The variational derivation |
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208 | (6) |
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214 | (1) |
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Solution of the Fock equation |
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214 | (4) |
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218 | (3) |
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221 | (8) |
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221 | (2) |
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Approximate partitioning with a localizing potential |
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223 | (4) |
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227 | (2) |
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229 | (9) |
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One-, two- and N-particle density functionals |
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238 | (12) |
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238 | (1) |
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Density functional of Hohenberg and Kohn |
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239 | (2) |
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241 | (4) |
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245 | (3) |
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The density functional and the two-particle density operator |
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248 | (2) |
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Paramagnetism and diamagnetism in the electron gas |
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250 | (48) |
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250 | (1) |
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Paramagnetism of the electron gas |
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251 | (18) |
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251 | (3) |
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The magnetic susceptibility |
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254 | (3) |
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Solution at low temperature |
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257 | (9) |
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Solution at high temperature |
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266 | (3) |
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Diamagnetism of the electron gas |
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269 | (29) |
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269 | (1) |
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270 | (3) |
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273 | (8) |
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281 | (2) |
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Magnetization: the de Haas--van Alphen effect |
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283 | (8) |
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291 | (3) |
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294 | (4) |
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Charge density waves in solids |
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298 | (36) |
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298 | (1) |
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Effective electron--electron interaction |
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299 | (4) |
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The Hartree equation: uniform and periodic cases |
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303 | (10) |
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The Hartree approximation |
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303 | (3) |
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306 | (3) |
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309 | (4) |
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Charge density waves: the Mathieu equation |
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313 | (18) |
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313 | (3) |
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Solution away from the band gap |
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316 | (2) |
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Solution near the band gap |
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318 | (4) |
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The self-consistency condition |
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322 | (6) |
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328 | (3) |
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331 | (3) |
References |
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334 | (5) |
Exercises |
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339 | (7) |
Answers |
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346 | (7) |
Author index |
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353 | (4) |
Subject index |
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357 | |