## A method of evaluating crystal lattice sums for general interactions with applications to surface and interstitial diffusion |

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### Contents

Lattice Summation Methods | 4 |

Adsorbed Ion Energy on KC1 Surface | 49 |

Frenkel Defect Energies in AgCl | 85 |

1 other sections not shown

### Common terms and phrases

Ag+ ion AgCl alkali-halides approximation assumed binding energy bulk calculation changes in coulomb charge considered contribution convergence convergent series coordinate coulomb energy coulomb potential crystal space cubic lattice depending diffusion activation energies dipole moments displaced lattice distance effect electron electron-volts estimate evaluated evaporation Ewald expression F-center face-centered face-centered cubic field Fourier free ion individual interaction energy infinite integral interstitial ion inverse power Ion Energy ion moves ionic crystal J.of Chem K+ ion KC1 molecule lattice ion lattice spacing lattice sum ledge Madelung Madelung's method molecule NaCl structure nearest neighbors normal noted obtained overlap particle partition function path Phys polarizability polarization energy Prenkel defect reciprocal lattice repulsion energy result Riemann zeta function rigid lattice saddle point semi-infinite stable position superficial ion surface diffusion surface plane Table three-dimensional tion total energy unit cell unity volts Waal's energy zero