Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Finite temperature behavior of impurity doped Lithium cluster {\em viz}
  Li$_6$Sn   We have carried out extensive isokinetic {\it ab initio} molecular dynamic
simulations to investigate the finite temperature properties of the impurity
doped cluster Li$_6$Sn along with the host cluster Li$_7$. The data obtained
from about 20 temperatures and total simulation time of at least 3 ns is used
to extract thermodynamical quantities like canonical specific heat. We observe
a substantial charge transfer from all Li atoms to Sn which inturn weakens the
Li-Li bonds in Li$_6$Sn compared to the bonds in Li$_7$. This weakening of
bonds changes the finite temperature behavior of Li$_6$Sn significantly.
Firstly, Li$_6$Sn becomes liquid-like around 250 K, a much lower temperature
than that of Li$_7$ ($\approx$~425 K). Secondly, an additional quasirotational
motion of lithium atoms appears at lower temperatures giving rise to a shoulder
around 50 K in the specific heat curve of Li$_6$Sn. The peak in the specific
heat of Li$_7$ is very broad and the specific heat does not show any premelting
features.

35
The categories of this paper are: mtrl-th
34
The categories of this paper are: chem-ph
11
The categories of this paper are: hep-lat
24
The categories of this paper are: dg-ga
13
The categories of this paper are: quant-ph
21
The categories of this paper are: adap-org
31
The categories of this paper are: ao-sci
26
The categories of this paper are: bayes-an
8
The categories of this paper are: hep-ex
17
The categories of this paper are: q-fin
0
The categories of this paper are: hep-ph
5
The categories of this paper are: gr-qc
7
The categories of this paper are: hep-th
10
The categories of this paper are: q-bio
18
The categories of this paper are: econ
2
The categories of this paper are: math