Effective distribution coefficients of an ideal solid solution crystal: Monte Carlo simulation

Growth of a binary ideal solid solution crystal studied by Monte Carlo simulation

“…The relation K min t % K 0 t can be interpreted by the surface relaxation, as described above and in a previous paper [11]. The relation of K b % K min t must be discussed with the relation of K tail t aK min t in Fig.…”

“…As an increase of s, K b approaches the constant value of K min t ¼ K 0 t and remains almost constant as a further increase of s [11] (Fig. 7a).…”

“…In our previous study [11], results of Monte Carlo simulation revealed details of element distribution in the case of the growth of a binary solid solution crystal from its vapor under limited conditions. Results of that study show that (1) the effective distribution coefficient of the binary ideal solid solution depends on the absolute value of binding energy and step spacing when the driving force is small and (2) an important role of surface relaxation processes by the direct exchange of atoms between the terrace sites and the vapor.…”

“…In the same manner as that described in a previous paper [11], t sites just behind and in front of a growth step are called the terrace head and terrace tail, respectively; b sites just below the s sites next to a kink site are called the bulk head (Fig. 4).…”

“…In our previous MC simulation study [11], we introduce the surface relaxation model to explain the fact that K min t is almost constant and is nearly equal to K 0 t under low s conditions. In the surface relaxation model, the composition of terrace sites is different from its equilibrium value when these sites are newly formed, and then reaches its equilibrium value by a direct exchange between terrace sites and a vapor before the terrace sites are covered by another advancing step.…”