P. Dahan et al., ISOTOPE SHIFT IN SEMICONDUCTORS WITH TRANSITION-METAL IMPURITIES - EXPERIMENT AND THEORY APPLIED TO ZNO-CU, Physical review. B, Condensed matter, 57(16), 1998, pp. 9690-9694
Isotope shifts for various lines associated with excitations of transi
tion-metal impurities in semiconductors are considered. Special attent
ion is paid to ZnO:Cu, for which experimental results are presented. I
sotope shifts are measured for the so-called photoluminescence alpha a
nd beta zero-phonon lines associated with excitations of bound exciton
s, and of the zero-phonon line associated with the intracenter Cu2+(T-
2(2)-E-2) transition. These shifts appear to be negative and nearly eq
ual. A theoretical model explaining these results is proposed, which i
ncorporates the mode softening mechanism and the covalent swelling of
the impurity d electron wave functions. It is shown that, contrary to
transitions in simple neutral impurities, this mechanism works both fo
r the excited and ground states of all processes in transition-metal i
mpurities considered here. Using reasonable values of the parameters o
f the system, we are able to explain both the sign and value of the is
otope shifts. [S0163-1829(98)04115-0].