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Ramon Cuadrado del Burgo - March 7, 2016
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The present test performs fully-relativistic simulation of FePt-L1_0 structure
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placed with the (001) axis along X and Z, X-alignment and Z-alignment, respectively.
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By means of the calculation of the total selfconsistent energy it is possible to
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obtain the magnetic anisotropy energy (MAE) checking in addition that:
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1) The total SC energy for x-axis spin orientation corresponds to the
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lower value: E_x < E_y = E_z => x-axis = Easy axis
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2) The total SC energy for y-axis and z-axis spin orientation have the
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same value and they are larger than x-axis SC total energy:
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E_y = E_z => y/z-axis = Hard axes
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1) The total SC energy for z-axis spin orientation corresponds to the
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lower value: E_z < E_x = E_y => z-axis = Easy axis
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2) The total SC energy for x-axis and y-axis spin orientation have the
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same value and they are larger than z-axis SC total energy:
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E_x = E_y => x/y-axis = Hard axes
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For comparison of (X/Z)-alignment, the total SC energies and MAEs of both
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configurations have to have the same values when the system is rotated in space:
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a) E_x(X-alignment) = E_z(Z-alignment)
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E_y(X-alignment) = E_x(Z-alignment)
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E_z(X-alignment) = E_y(Z-alignment)
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b) MAE(X-alignment) = E_x - E_(y/z) <=> MAE(Z-alignment) = E_z - E_(x/y)