Ab initio simulation for twin boundary energy in YBCO and doped YBCO system for the 1st time.
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Local charge transfer and charge redistribution on the twin planes.
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Structural and electronic properties of YBKCO and YCBCO systems.
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Effect of Ca and K doping on twin boundary.
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This explain the effect of twin boundaries in agreement with experimental data.
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Structural and electronic properties of twined YBKCO and YCBCO systems.
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