The zero static internal stress approximation in lattice dynamics, and the calculation of isotope effects on molar volumes

For crystals in which relative positions of atoms within the unit cell are not wholly determined by symmetry, a complete application of the quasiharmonic approximation requires the minimization of the free energy with respect to both external (ηλ) and internal (εj) strains. The zero static internal...

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Detalles Bibliográficos
Autores principales: Allan, N.L., Barren, T.H.K., Bruno, J.A.O.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v105_n18_p8300_Allan
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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