  We investigate thermodynamic and electronic properties of group IV (C, Si,
Ge, Sn) and group VI (O, S, Se, Te) impurities as well as P and H in aluminum
antimonide (AlSb) using first-principles calculations. To this end, we compute
the formation energies of a broad range of possible defect configurations
including defect complexes with the most important intrinsic defects. We also
obtain relative scattering cross strengths for these defects to determine their
impact on charge carrier mobility. Furthermore, we employ a self-consistent
charge equilibration scheme to determine the net charge carrier concentrations
for different temperatures and impurity concentrations. Thereby, we are able to
study the effect of impurities incorporated during growth and identify optimal
processing conditions for achieving compensated material. The key findings are
summarized as follows. Among the group IV elements, C, Si, and Ge substitute
for Sb and act as shallow acceptors, while Sn can substitute for either Sb or
Al and displays amphoteric character. Among the group VI elements, S, Se, and
Te substitute for Sb and act as deep donors. In contrast, O is most likely to
be incorporated as an interstitial and predominantly acts as an acceptor. As a
group V element, P substitutes for Sb and is electrically inactive. C and O are
the most detrimental impurities to carrier transport, while Sn, Se, and Te have
a modest to low impact. Therefore, Te can be used to compensate C and O
impurities, which are unintentionally incorporated during the growth process,
with minimal effect on the carrier mobilities.
