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Dependence of the silicon lattice constant on isotopic mass

1999; Elsevier BV; Volume: 110; Issue: 5 Linguagem: Inglês

10.1016/s0038-1098(99)00082-4

1879-2766

Carlos P. Herrero,

Physics of Superconductivity and Magnetism

The dependence of the lattice parameter of silicon upon isotopic mass has been studied by quantum path-integral Monte Carlo simulations. The fractional change in the lattice parameter of 30Si with respect to natural silicon is found to be Δa/a=−4.4 and −2.9×10−5 at 100 and 300 K, respectively. Our results are compared with earlier ab-initio calculations based on a quasiharmonic approximation.