Anisotropic thermal expansion in crystals with stacks of planar molecules, such as tetracyanoquinodimethanide (TCNQ) salts

Autor: Jan Kommandeur, C Haas, S Vansmaalen, Jl Deboer
Rok vydání: 1985
Předmět:
Zdroj: Physical Review. B: Condensed Matter and Materials Physics, 31(6), 3496-3503. AMER PHYSICAL SOC
ISSN: 0163-1829
Popis: The mean thermal-expansion tensor is determined for a number of N-substituted-morpholinium tetracyanoquinodimethanide salts by measuring the lattice parameters at various temperatures. A large anisotropy is found. The expansion coefficient has its highest value approximately along the stack axis of the tetracyanoquinodimethane (TCNQ) molecules. To explain this anisotropy, a simple model is given in which the separate contributions of the librational phonon modes and the translational phonon modes to the thermal expansion are calculated. An argument based on the number of degrees of freedom leads immediately to an expansion along the stack three times larger than the expansion in directions perpendicular to the stack. This simple estimate is confirmed by a more precise analysis
Databáze: OpenAIRE