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small, and certainly beyond the scope of experimental measurement Nonetheless, the graph shows that the wave function will assume a value of C = 072 This will have implications for systems where the extent and nature of the wave function are important, eg electron scattering from neutral donors, donor-bound excitons, and the electrical excitation of impurities Table 51 compares the energies obtained with all three trial wave functions for donor positions across a 60 A CdTe well, surrounded by 200 A Cd09Mn01Te barriers (hence the centre of the well is at 230 A) Note, as mentioned above, that the trial wave functions which contain integrals that require numerical evaluation, ie the 2D and the variable symmetry case which contain the integrals between 0 and 1 with respect to w, demand around eight wave function points per A for complete convergence.

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The data displayed earlier in Fig 510 as a comparison between the 2D and the 3D case, was obtained quickly with the standard mesh of 1 point per A, ie 6z = 1 A This was acceptable at that point in order to illustrate merely that the 3D case gave lower variational energies than the 2D case However, for the purposes of demonstrating that the variable symmetry case gives lower energies still, more accurate calculations were necessary, and indeed for Table 51, 6z in the iterative equation (equation (528)) was required to be 01 A The disadvantage to moving to such accuracy is, of course, the increased computational effort, which is roughly inversely proportional to 6z; hence an increase by a factor of 10 in the number of wave function points leads to a similar increase in computational time Table 5.

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1 clearly illustrates that the variable symmetry trial function gives the lowest energies, for all donor positions, although in terms of energy the 3D wave function is a very good approximation also, with energies differing by less than 01 meV In comparison with the more accurate evaluation of the energy for the 2D case, this differs by up to 07 meV Figures 518 and 519 illustrate the results of detailed calculations for the GaAs/ Ga 1 _ x Al x As system The energies in Fig 518 are similar in form to those obtained earlier, with the interest here lying with the symmetry of the wave function, as given in Fig 519.

, for all (real) x, x # 1, and all natural num-

Most obviously, it is clear that the values of C imply that the donor wave function will assume symmetries that are neither 2D or 3D, thus justifying the investment in the variable symmetry analysis The value of C is non-monotonic as a function of donor position, with a local minimum for donors at the centre of the well and a peak for donors near the well-barrier interface; this is the exact same behaviour as reported by Roberts et al [108] for the CdTe-Cd1 xMnxTe system and hence appears to be a generic result Typically, it is found that C ~ 07, and hence the variable-symmetry trial wave function looks like the following:.

B.4.1

i.e. the coefficient of z'2 is half that of x and y. Therefore, the hydrogenic factor is midway between the 2D and 3D case, with a very definite prolate spheroid shape (refer again to Fig. 5.16).

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