Calculation of elastic constants of TCNQ
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Karl-Heinz Brose; Craig J. Eckhardt
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Article
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1986
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Elsevier Science
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English
โ 524 KB
Harmonic lattice dynamics is used to calculate the sound velocities in crystalline 7,7,8,8-tetracyanoquinodimethane at T = 0 K and zero pressure. The intermolecular potential energy is defined by the exp-6-l atom-atom summation method. This potential reproduces the observed crystal structure satisfa