Potentials for B-metal compounds: The stannates ASnO3 (A = Ca, Sr or Ba) and SnO2
- 1 January 1996
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 73 (1) , 33-39
- https://doi.org/10.1080/13642819608239109
Abstract
We report a set of potentials for the three stannates ASnO3 (A = Ca, Sr or Ba) and SnO2. The results for the lattice structure, defect energies, electronic disorder and redox behaviour of these systems are presented.Keywords
This publication has 17 references indexed in Scilit:
- A modern valence bond approach for interatomic potentialsPhilosophical Magazine Part B, 1996
- Atomistic lattice simulations of the ternary fluorides AMF3(A = Li, Na, K, Rb, Cs; M = Mg, Ca, Sr, Ba)Journal of Materials Chemistry, 1991
- A computer modeling study of defect and dopant states in SnO2Journal of Solid State Chemistry, 1990
- Calculated surface phonon densities of states of ionic oxides and fluoridesJournal of Physics: Condensed Matter, 1989
- A comparison of the calculated lattice and defect structures of La2CuO4, La2NiO4, Nd2CuO4, Pr2CuO4, Y2CuO4, Al2CuO4: Relationship to high-Tc superconductivityPhilosophical Magazine Part B, 1989
- The Mott–Littleton method: an introductory surveyJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1989
- Computer Simulation of SolidsPublished by Springer Nature ,1982
- Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structuresActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1971
- Theory of the Dielectric Constants of Alkali Halide CrystalsPhysical Review B, 1958
- Relations between the Concentrations of Imperfections in Crystalline SolidsPublished by Elsevier ,1956