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Volumn 102, Issue 10, 2009, Pages

Critical behavior in ferroelectrics from first principles

Author keywords

[No Author keywords available]

Indexed keywords

LEAD; MONTE CARLO METHODS;

EID: 63249114007     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.102.105701     Document Type: Article
Times cited : (16)

References (36)
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    • We also perform calculations on PZT thin films under open-circuit electrical boundary conditions, using an effective Hamiltonian approach that mostly differs from the presently used approach by the long-range dipolar interactions [that are those of systems that are periodic in x and y directions but finite-and sandwiched by vacuum-along the z axis for the films; see PRBMDO 1098-0121 10.1103/PhysRevB.72.140102
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    • These additional calculations yield a shift in Curie temperature that follows a critical law with the film's thickness, with this law being governed by the same ν parameter (within the uncertainty) as the one presently found in our calculations for PZT bulks. This finding is consistent with PLRBAQ 0556-2805 10.1103/PhysRevB.1.352
    • These additional calculations yield a shift in Curie temperature that follows a critical law with the film's thickness, with this law being governed by the same ν parameter (within the uncertainty) as the one presently found in our calculations for PZT bulks. This finding is consistent with G.A.T. Allen, Phys. Rev. B PLRBAQ 0556-2805 1, 352 (1970), and further confirms the extracted value of the critical exponents for the bulk. 10.1103/PhysRevB.1.352
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    • For instance, ν and γ are found to be equal to 0.611±0.004 and 1.290±0.01, respectively, when using L=12, 14, 16, and 18 for the virtual crystal alloy.
    • For instance, ν and γ are found to be equal to 0.611±0.004 and 1.290±0.01, respectively, when using L=12, 14, 16, and 18 for the virtual crystal alloy.


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