Nanostructuring is one of the well-known tools for improving
the
thermoelectric figure of merit, but it has limits when tuning the
lattice thermal conductivity. The thermoelectric coefficients, including
the lattice thermal conductivity in two-dimensional materials, can
further be modified using strain engineering, which manipulates the
interatomic forces and the energy levels in these systems. With this
in mind, we investigate the thermoelectric properties of the SnS monolayer
under uniaxial compressive and tensile strains using first-principles
calculations and the Boltzmann transport equation. Analysis of the
elastic constants and Poisson ratio points toward the applicability
of strain only along the armchair or b direction.
Systems with uniaxial compressible and tensile strains from −4%
to 5% along the armchair direction are found to be dynamically stable.
A high power factor of ∼1.1 W m–1 K–2, which is ∼1.8 times higher than the unstrained case, is
predicted for the 1% strain case for p-type carriers. A ∼77%
enhancement in the dimensionless figure of merit (ZT) for p-type carriers and ∼86% enhancement in the figure of
merit for n-type carriers with respect to equilibrium is detected
upon application of a minimal 1% tensile strain. An almost 3-fold
increase in ZT can be achieved for 1% strain at 600
K. This enhancement in ZT renders the strained monolayer
a much more promising candidate for thermoelectric applications.
The high degree of spin-polarization observed in ordered double perovskite oxide Sr 2 FeMoO 6 at room temperature has attracted considerable interest from both fundamental and practical points of view. In this paper, we have shown a significant change in spin-polarization with a small B-site offstoichiometry. We have demonstrated a direct correlation between the growth process, Fe:Mo (B-site) stoichiometry, and the electrical properties of half metallic Sr 2 FeMoO 6 thin film. We have shown that varying the Fe:Mo (B-site) stoichiometry by a small atomic percent results in an order of magnitude change in resistivity and at least four times change in magnetoresistance. Theoretical calculation suggests a strong correlation between electronic structure, electronic polarization, and B-site non-stoichiometry.
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