Khanna, Rita and Ananthakrishna, G and Welberry, TR (1992) The effect of low intra-sublattice repulsion on phase diagram of YBa2Cu3O6+x: A Monte Carlo simulation study. In: Pramana - Journal of Physics, 34 (4). pp. 329-341.
The_effect_of_low_intra.pdf - Published Version
We report the results of Monte Carlo simulation of the phase diagram and oxygen ordering in YBa2Cu3O6+x for low intra-sublattice repulsion. At low temperatures, apart from tetragonal (T), orthorhombic (OI) and 'double cell' ortho II phases, there is evidence for two additional orthorhombic phases labelled here as OIBAR and OIII. At high temperatures, there was no evidence for the decomposition of the OI phase into the T and OI phases. We find qualitative agreement with experimental observations and cluster-variation method results.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Indian Academy of Sciences.|
|Keywords:||Oxygen ordering;phase diagram;YBa2Cu3O6+x.|
|Department/Centre:||Division of Chemical Sciences > Materials Research Centre|
|Date Deposited:||30 May 2011 05:52|
|Last Modified:||30 May 2011 05:52|
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