This paper focuses on the crystal
structure, electronic transport,
and improved thermoelectric properties of InTe by combining experimental
and theoretical methods. P-type InTe doped with Bi, Ag, Mn, Sn, or
Sb is experimentally studied, resulting in improved zT values. The enhanced thermoelectric performance is mainly induced
by reduced thermal conductivity. The highest performance is achieved
in In0.99Sn0.01Te, which exhibits an enhanced zT by a factor of approximately 1.6 compared with the pristine
sample. The crystal structure is investigated in detail by using synchrotron
powder X-ray diffraction. The electronic structure of InTe is calculated
using the TB-mBJ method within density functional theory, and a band
gap of 0.16 eV is obtained. Based on the electronic structures, Boltzmann
transport theory is applied to calculate the electrical transport
properties, and their excellent agreement with the experimental data
verifies the effectiveness of the rigid band approximation. Importantly,
electrical transport properties are predicted to be favorable as the
n-type, which is attributed to a high valley degeneracy of the conduction
band minimum. We anticipate an improved power factor and zT in n-type InTe if it can be n-doped. This work provides systematic
insight into the crystal structure and electronic transport of InTe,
which is important for the further optimization of InTe thermoelectrics.