Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Investigation of the electronic and thermoelectric properties of Fe2 ScX
  (X = P, As and Sb) full Heusler alloys by using first principles calculations   By using ab initio electronic structure calculations here we report the three
new full Heusler alloys which are possessing very good thermoelectric behavior
and expected to be synthesized in the laboratories. These are Fe2 ScP, Fe2 ScAs
and Fe2 ScSb compound. First two compounds are indirect band gap semiconductors
and the last one shows semimetallic ground state. The value of band gap of Fe2
ScP and Fe2 ScAs is 0.3 and 0.09 eV, respectively. These compounds show the
presence of flat conduction bands along {\Gamma} - X-direction suggesting for
the large electron like effective mass and promising for very good
thermoelectric behavior of the compounds. At 200 K, the Seebeck coefficients of
Fe2 ScP, Fe2 ScAs and Fe2 ScSb compounds are -770, -386 and -192{\mu}V/K,
respectively. The maximum power factor (P F ) is expected for the n-type doping
in these materials. The heavily doped Fe2 ScP and Fe2 ScAs have P F >60 for a
wide temperature range, which is comparable to the PF of Bi2 Te3 - a well known
and one of the best commercially used thermoelectric material. Present work
suggests the possible thermoelectric applicability of these materials in a wide
temperature range.

37
The categories of this paper are: supr-con
5
The categories of this paper are: gr-qc
21
The categories of this paper are: adap-org
31
The categories of this paper are: ao-sci
8
The categories of this paper are: hep-ex
33
The categories of this paper are: plasm-ph
32
The categories of this paper are: atom-ph
17
The categories of this paper are: q-fin
22
The categories of this paper are: chao-dyn
35
The categories of this paper are: mtrl-th
29
The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
0
The categories of this paper are: hep-ph
30
The categories of this paper are: q-alg
13
The categories of this paper are: quant-ph
18
The categories of this paper are: econ