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Dipole-field sums and Lorentz factors for orthorhombic lattices, and implications for polarizable moleculesA method for computing the Lorentz tensor components in single crystals via rapidly convergent sums of Bessels functions is developed using the relationship between dipole-field sums and the tensor components. The Lorentz factors for simple, body-centered, and base-centered orthorhombic lattices are computed using this method, and the derivative Lorentz factors for simple orthorhombic lattices are also determined. Both the Lorentz factors and their derivatives are shown to be very sensitive to a lattice structure. The equivalent of the Clausius-Mossotti relation for general orthorhombic lattices is derived using the Lorentz-factor formalism, and the permanent molecular dipole moment is related to crystal polarization for the case of a ferroelectric of polarizable point dipoles. It is concluded that the polarization enhancement due to self-polarization familiar from classical theory may actually be a reduction in consequences of negative Lorentz factors in one or two lattice directions for noncubic crystals.
Document ID
19830036008
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Purvis, C. K.
(NASA Lewis Research Center Cleveland, OH, United States)
Taylor, P. L.
(Case Western Reserve University Cleveland, OH, United States)
Date Acquired
August 11, 2013
Publication Date
October 15, 1982
Publication Information
Publication: Physical Review B - Solid State
Subject Category
Solid-State Physics
Accession Number
83A17226
Funding Number(s)
CONTRACT_GRANT: DAAG29-78-G-0064
Distribution Limits
Public
Copyright
Other

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