GCMC Glauber dynamics study for structural transitions in YBCOx (0<x<1), HTc system
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Abstract:
We have chosen an Ising ASYNNNI (ASYmmetric Next Nearest Neighbor Interaction) model under a grand canonical regime to investigate structural phase transition from a high symmetric tetragonal (Tet) to a low symmetric orthorhombic in YBa2Cu3O6+x , 0<x<1, HTc system. Ordering process for absorbed oxygens from an external gas bath into the basal plane of the layered system is studied by Monte Carlo Glauber dynamics which focuses on the effect of chemical potential in the bath on the oxygen diffusion inside the basal plain, as well. It is predicted short range super-lattice phases called orthorhombic II and III (OII, OIII) and also a long range orthorhombic I (OI) phase, corresponding to the oxygen stoichiometry, x, and temperature. It is consistent with literatures and confirmed by our ND studies (ILL, France) too.
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Journal title
volume 16 issue 4
pages 646- 651
publication date 2009-01
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