Computer simulation of defects in ionic solids

Reports on Progress in Physics

Volumn 53, Issue 11, 1990, Pages 1403-1466

  Harding, J H ^a  

^a Harwell Lab   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 11944267622     PISSN: 00344885     EISSN: None     Source Type: Journal    
DOI: 10.1088/0034-4885/53/11/002     Document Type: Review

References (229)

1. Computational statistical mechanics methodology, applications and supercomputing
2. Anomalous high-temperature ionic conductivity in the silver halides
3. Ionic conductivity of potassium chloride
4. Molecular dynamics simulations at constant pressure and/or temperature
5. Polarons in crystalline and non-crystalline materials
6. Space charge regions at silver halide surfaces: Effects of divalent impurities and halogen pressure
7. A calculation of defect Gibbs energies for silver chloride and silver bromide
8. Interatomic potentials for oxides
9. Adequacy of lattice dynamics for high-temperature point-defect properties
10. Jump rate of the fcc vacancy in the short-memory–augmented-rate-theory approximation. I. Difference Monte Carlo sampling for the Vineyard rate
11. Charged dislocations and the strength of ionic crystals
12. A Quantum Mechanical Investigation of the Cohesive Forces of Metallic Copper
13. Theory for the Forces between Closed-Shell Atoms and Molecules
14. Quasi-harmonic calculations of the isotope effect in diffusion
15. Computer Simulation Studies of Zeolite Structure
16. The defect structure of Fe1−xO
17. Defect Simulation and Supercomputers
18. Some comments on the mass effect in diffusion
19. Global mass dependence of the isotope effect in diffusion
20. Ionic conductivity and activation volumes in the lead halides PbCl2, PbBr2, and PbI2
21. Shell-model calculations of interaction energies between point defects and dislocations in ionic crystals
22. Relativistic AB Initio Calculations of the Properties of Ionic Solids
23. Monte Carlo Simulation of Vacancies in Rare-Gas Crystals
24. Calculation of Coefficients in the Power Series Expansion of the Long-Range Dispersion Force between Atoms
25. Segregation of Isovalent Impurity Cations at the Surfaces of MgO and CaO
26. Zur Ionenleitung und Fehlordnung von Silberbromid mit Zusätzen zweiwertiger Kationen. I Leitfähigkeitsmessungen und Zustandsdiagramme
27. Isotope effect in vacancy diffusion