Sm. Mohapatra et al., INVESTIGATION OF EXPECTED LOCATION OF MUONIUM IN NORMAL-STATE IN III-V SEMICONDUCTORS AND ASSOCIATED MUON HYPERFINE INTERACTION, Hyperfine interactions, 79(1-4), 1993, pp. 659-662
The location and hyperfine properties of muonium in AlP is investigate
d by the unrestricted Hartree-Fock cluster procedure. Two minima are f
ound, one at the aluminium tetrahedral interstitial site, and the othe
r at the corresponding phosphorus site. The former is deeper by 0.25 e
V and separated from the other minimum by a steep maximum of 0.63 eV i
n the hexagonal region. Using the calculated electronic wave functions
, the muon hyperfine constant, after vibrational averaging, comes out
smaller than the value for free muonium, the ratio being 0.93. This va
lue is, however, significantly higher than the experimental results in
GaP and GaAs.