Khanna, Rita and Welberry, TR and Ananthakrishna, G (1992) Monte Carlo simulation of low temperature phase diagrams of YBa2Cu3O6+x. In: Physica C: Superconductivity, 197 (1-2). pp. 57-63.
We report the results of Monte Carlo simulation of oxygen ordering in the oxygen deficient portion (x<0.5) of YBa2Cu3O6+x at low temperatures. We find qualitative agreement among cluster - variation, Monte Carlo and transfer matrix methods. However, low temperature and ground state simulations clearly indicate the presence of a tetragonal phase. There is also evidence for two second order phase transition lines separating the tetragonal and the ï¿½double cellï¿½ ortho II phase. The effect of decreasing the inter-chain repulsion on oxygen ordering has also been investigated.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Elsevier science.|
|Department/Centre:||Division of Chemical Sciences > Materials Research Centre|
|Date Deposited:||05 May 2011 05:50|
|Last Modified:||05 May 2011 05:50|
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