Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: DFT based study on structural stability and transport properties of
  Sr3AsN: A potential thermoelectric material   Antiperovskite materials are well known for their high thermoelectric
performance and gained huge research interest. Here, we report the structural
stability and transport properties of Sr$_3$AsN from a precise first-principles
study. The calculated equilibrium lattice parameters are in a good agreement
with the available data. We find that Sr$_3$AsN is a mechanically,
energetically and dynamically stable at ambient condition. Our calculated
electronic structure indicates that it is a direct bandgap semiconductor, with
a value ~1.2 eV. Sr-4d and N-2p orbitals mainly formulate the direct bandgap.
This antiperovskite possesses a high Seebeck coefficient. Although its lattice
thermal conductivity is comparatively low, electronic thermal conductivity is
very high. The calculated maximum TE figure of merit is 0.75 at 700 K,
indicating that it is a potential material for thermoelectric applications.

3
The categories of this paper are: physics
5
The categories of this paper are: gr-qc
37
The categories of this paper are: supr-con
11
The categories of this paper are: hep-lat
12
The categories of this paper are: nucl-th
25
The categories of this paper are: patt-sol
1
The categories of this paper are: cs
9
The categories of this paper are: nlin
32
The categories of this paper are: atom-ph
14
The categories of this paper are: math-ph
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga
21
The categories of this paper are: adap-org
2
The categories of this paper are: math
28
The categories of this paper are: alg-geom
34
The categories of this paper are: chem-ph