Lattice Dynamics at Zone-Center of Sulphide and Selenide Spinels |
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Authors: | AK Kushwaha |
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Institution: | Department of Physics, K.N. Govt. P.G. College, Gyanpur
Bhadohi-221304, India |
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Abstract: | A rigid-ion model is used to calculate the force constants and effective
dynamical charges of sulphide and selenide spinels. The Raman and infrared
phonon modes of normal cubic sulphide spinels MCr2Se4
(M = Mn, Co, Fe, Hg, Zn, and Cd) and selenide spinels MCr2Se4
(M = Hg, Zn, and Cd) are calculated at the first Brillouin zone-centre using above model. The
significant outcome of the present work is (i) the interatomic interaction
between Cr-S (Se) dominates over the
Cr-S(Se) and S-S(Se-Se) type of
interatomic interactions, (ii) the effective dynamical charges of the
bivalent metal ions are nearly zero, and (iii) the selenide spinels are less
ionic than the sulphide spinels and the ionicity decreases as
MnCr2S4 >
FeCr2S4 >
CoCr2S4 > and
CdCr2C4 >
ZnCr2C4 >
HgCr2C4
(C = S and Se). The zone-center phonon frequencies, calculated using these parameters, are
found to be in very good agreement with the observed results. |
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Keywords: | lattice dynamics zone-center spinel effective charges |
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