Abstract:
Cuprous Oxide (Cu2O) based semiconductor materials have lately attracted attention
for their electrical and optical properties owing to its potential usage in cutting-edge
electronics and solar cells. The current research is focused on thermoelectric and optical
properties of Zinc (Zn) doped Cu2O. Thin films of pure and Zn doped Cu2O were
deposited by spin coating technique and optical properties were examined via
ellipsometry. To cross check the parameters, the simulation studies were also done. The
density functional theory calculations were used to model Zinc (Zn) incorporated Cu2O
crystals and predict their thermoelectric and optical responses. All the simulations were
performed using an extended gradient approximation method, with the full-potential
linearized augmented plane wave technique taken into account. Solutions were
prepared by Sol gel route and then Spin coating technique was used to create Cu2O thin
films with a consistent morphology that were either pure or included Zn at
concentrations of 3.125, 6.25, and 12.5 wt.%. There is a strong relationship found
between electrical, optical, and thermoelectric characteristics, by both ab-initio and
experimental studies. The experimental results were in well agreement with simulation
results. With the addition of Zn to the Cu2O structure, a reduction in the band gap was
observed and an optical band gap of 1.9eV was recorded for 12.5 wt.% Zn doped Cu2O
but in undoped Cu2O a higher optical band gap of 2.2eV was observed. In the visible
range, the absorption coefficient and real epsilon show a dramatic increase with Zn
doping. Doped samples also showed higher values of Seebeck coefficient for a wide
temperature range as compared to the undoped samples. Due to their unique properties,
the results suggest that these materials might be used in a variety of optoelectronic and
dielectric devices
