Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Structural, Elastic, Electronic and Optical Properties of a New
  Layered-Ternary Ta4SiC3 Compound   We propose a new layered-ternary Ta4SiC3 with two different stacking
sequences ({\alpha}- and {\beta}-phases) of the metal atoms along c axis and
study their structural stability. The mechanical, electronic and optical
properties are then calculated and compared with those of other compounds M4AX3
(M = V, Nb, Ta; A = Al, Si and X = C). The predicted compound in the
{\alpha}-phase is found to possess higher hardness than any of these compounds.
The independent elastic constants of the two phases are also evaluated and the
results discussed. The electronic band structures for {\alpha}- and
{\beta}-Ta4SiC3 show metallic conductivity. Ta 5d electrons are mainly
contributing to the total density of states (DOS). We see that the
hybridization peak of Ta 5d and C 2p lies lower in energy and the Ta 5d-C 2p
bond is stronger than Ta 5d-Si 3p bond. Further an analysis of the different
optical properties shows the compound to possess improved behavior compared to
similar types of compounds.

9
The categories of this paper are: nlin
14
The categories of this paper are: math-ph
31
The categories of this paper are: ao-sci
34
The categories of this paper are: chem-ph
24
The categories of this paper are: dg-ga
15
The categories of this paper are: nucl-ex
21
The categories of this paper are: adap-org
30
The categories of this paper are: q-alg
3
The categories of this paper are: physics
26
The categories of this paper are: bayes-an
25
The categories of this paper are: patt-sol
36
The categories of this paper are: cmp-lg
37
The categories of this paper are: supr-con
22
The categories of this paper are: chao-dyn
6
The categories of this paper are: astro-ph
11
The categories of this paper are: hep-lat