Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Enhanced thermoelectric performance of phosphorene by strain-induced
  band convergence   The newly emerging monolayer phosphorene was recently predicted to be a
promising thermoelectric material. In this work, we propose to further enhance
the thermoelectric performance of phosphorene by the strain-induced band
convergence. The effect of the uniaxial strain on the thermoelectric properties
of phosphorene was investigated by using the first-principles calculations
combined with the semi-classical Boltzmann theory. When the zigzag-direction
strain is applied, the Seebeck coefficient and electrical conductivity in
zigzag direction can be greatly enhanced simultaneously at the critical strain
of 5% where the band convergence is achieved. The largest ZT value of 1.65 at
300 K is then achieved conservatively estimated by using the bulk lattice
thermal conductivity. When the armchair-direction strain of 8% is applied, the
room-temperature ZT value can reach 2.12 in the armchair direction of
phosphorene. Our results indicate that strain induced band convergence could be
an effective method to enhance the thermoelectric performance of phosphorene.

11
The categories of this paper are: hep-lat
23
The categories of this paper are: solv-int
9
The categories of this paper are: nlin
0
The categories of this paper are: hep-ph
21
The categories of this paper are: adap-org
36
The categories of this paper are: cmp-lg
3
The categories of this paper are: physics
1
The categories of this paper are: cs
14
The categories of this paper are: math-ph
15
The categories of this paper are: nucl-ex
35
The categories of this paper are: mtrl-th
22
The categories of this paper are: chao-dyn
25
The categories of this paper are: patt-sol
26
The categories of this paper are: bayes-an
27
The categories of this paper are: comp-gas
16
The categories of this paper are: stat