Zz. Xu et al., PHONONS IN ZNTE CDSE SUPERLATTICES WITH INTERCHANGE OF CATION LAYERS ACROSS INTERFACES/, Journal of physics. Condensed matter, 10(7), 1998, pp. 1539-1547
The ZnTe/CdSe superlattice is one of the wide-gap semiconductor superl
attices grown successfully in recent years which have potential applic
ations in blue-green diode lasers. There exists experimental evidence
of interchange of entire atom layers across the interfaces of ZnTe/CdS
e superlattices in spite of the resulting interface strain. First-prin
ciples pseudopotential calculations of the total energy of such system
s confirmed the possibility of such interchanges. By using the combina
tion of a first-principles pseudopotential method and an empirical met
hod with parameters extracted from the available experimental data and
pseudopotential calculations, we studied phonons in ZnTe/CdSe superla
ttices with interchange of atom layers across the interface. The resul
ts are compared with phonons in ZnTe/CdSe superlattices with ideal int
erfaces. Several unique features of phonon modes in superlattices with
interchange of atomic layers across interfaces are identified and dis
cussed. These results provide more information about interface structu
res in such heterostructures, and we hope that they will stimulate mor
e experimental measurements in these materials.