Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Biaxial strain tuned thermoelectric properties in monolayer
  $\mathrm{PtSe_2}$   Strain engineering is a very effective method to tune electronic, optical,
topological and thermoelectric properties of materials. In this work, we
systematically study biaxial strain dependence of electronic structures and
thermoelectric properties (both electron and phonon parts) of monolayer
$\mathrm{PtSe_2}$ with generalized gradient approximation (GGA) plus spin-orbit
coupling (SOC) for electron part and GGA for phonon part. Calculated results
show that compressive or tensile strain can induce conduction band minimum
(CBM) or valence band maximum (VBM) transition, which produces important
effects on Seebeck coefficient. It is found that compressive or tensile strain
can induce significantly enhanced n- or p-type Seebeck coefficient at the
critical strain of CBM or VBM transition, which can be explained by
strain-induced band convergence. Another essential strain effect is that
tensile strain can produce significantly reduced lattice thermal conductivity,
and the room temperature lattice thermal conductivity at the strain of -4.02\%
can decrease by about 60\% compared to unstrained one, which is very favorable
for high $ZT$. To estimate efficiency of thermoelectric conversion, the figure
of merit $ZT$ can be obtained by empirical scattering time $\tau$. Calculated
$ZT$ values show that strain indeed is a very effective strategy to achieve
enhanced thermoelectric properties, especially for p-type doping. Tuning
thermoelectric properties with strain also can be applied to other
semiconducting transition-metal dichalcogenide monolayers $\mathrm{MX_2}$
(M=Zr, Hf, Mo, W and Pt; X=S, Se and Te).

10
The categories of this paper are: q-bio
36
The categories of this paper are: cmp-lg
34
The categories of this paper are: chem-ph
3
The categories of this paper are: physics
13
The categories of this paper are: quant-ph
16
The categories of this paper are: stat
15
The categories of this paper are: nucl-ex
8
The categories of this paper are: hep-ex
31
The categories of this paper are: ao-sci
37
The categories of this paper are: supr-con
7
The categories of this paper are: hep-th
0
The categories of this paper are: hep-ph
6
The categories of this paper are: astro-ph
27
The categories of this paper are: comp-gas
2
The categories of this paper are: math
33
The categories of this paper are: plasm-ph