First Principles Computer Simulation of the Defect Chemistry of Rutile TiO2
- 1 January 1996
- journal article
- Published by Springer Nature in MRS Proceedings
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
- Space Charge Segregation at Grain Boundaries in Titanium Dioxide: I, Relationship between Lattice Defect Chemistry and Space Charge PotentialJournal of the American Ceramic Society, 1993
- Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradientsReviews of Modern Physics, 1992
- Tracer impurity diffusion in single-crystal rutile (TiO2−x)Journal of Physics and Chemistry of Solids, 1985
- Disorder in TiO
2─
x
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1982
- Efficacious Form for Model PseudopotentialsPhysical Review Letters, 1982
- Correlation between isotropic forced volume magnetostriction at low temperature and electronic specific heat in b.c.c. FeCo and FeNi alloysPhysics Letters, 1965