The ternary semiconductor
AgInTe2 is a thermoelectric
material with a chalcopyrite-type structure, which is believed to
transform into a rocksalt-type structure under high pressure. Nuclear
magnetic resonance (NMR) is considered to provide unique insight into
material properties on interatomic length scales, especially in the
context of structural phase transitions. Here, 115In and 125Te NMR analyses are used to study AgInTe2 for
ambient conditions and pressures up to 5 GPa. Magnetic field-dependent
and magic angle spinning (MAS) experiments of 125Te prove
strongly enhanced internuclear couplings, as well as a distribution
of isotropic chemical shifts, suggesting a certain degree of cation
disorder. The indirect nuclear coupling is smaller for 115In, as well as the chemical shift distribution in agreement with
the crystal structure. 115In NMR is further governed by
a small quadrupolar interaction (ν
Q
≈ 90 kHz) and shows an orders of magnitude faster nuclear
relaxation in comparison to that of 125Te. At a pressure
of about 3GPa, the 115In quadrupole interaction increases
sharply to about 2400 kHz, indicating a phase transition to a structure
with a well-defined though noncubic local symmetry, while the 115In shift suggests no significant changes of the electronic
structure. The NMR signal is lost above about 5 GPa (at least up to
about 10 GPa). However, upon releasing the pressure, a signal is recovered
that points to the reported metastable ambient pressure phase with
a high degree of disorder.