S. Biernacki et M. Scheffler, THE INFLUENCE OF THE ISOTOPIC COMPOSITION ON THE THERMAL-EXPANSION OFCRYSTALLINE SI, Journal of physics. Condensed matter, 6(26), 1994, pp. 4879-4884
We report first-principles calculations of the dependence of the latti
ce parameter of Si on temperature and on the isotopic composition. Aro
und 80 K (the minimum of the thermal expansion coefficient) the lattic
e parameter difference of different isotopic compositions is largest a
nd then it decreases monotonically with increasing temperature. The re
sults are explained in a simple physical picture.