Journal
PHYSICAL REVIEW B
Volume 74, Issue 17, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.74.172105
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A different method is proposed to evaluate the electrostatic potential and electric field from x-ray diffraction data by using maximum entropy method. The efficiency of the method is revealed in the application to a ferroelectric material PbTiO3. Visualized electrostatic potential and electric field on the charge density distribution give a direct evidence for the dipolar polarization of the Pb ion. They show close agreement with results by ab initio calculations.
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