Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: ab initio modeling of open systems: charge transfer, electron
  conduction, and molecular switching of a C_{60} device   We present an {\it ab initio} analysis of electron conduction through a
$C_{60}$ molecular device. Charge transfer from the device electrodes to the
molecular region is found to play a crucial role in aligning the lowest
unoccupied molecular orbital (LUMO) of the $C_{60}$ to the Fermi level of the
electrodes. This alignment induces a substantial device conductance of $\sim
2.2 \times (2e^2/h)$. A gate potential can inhibit charge transfer and
introduce a conductance gap near $E_F$, changing the current-voltage
characteristics from metallic to semi-conducting, thereby producing a field
effect molecular current switch.

19
The categories of this paper are: eess
5
The categories of this paper are: gr-qc
3
The categories of this paper are: physics
7
The categories of this paper are: hep-th
24
The categories of this paper are: dg-ga
36
The categories of this paper are: cmp-lg
2
The categories of this paper are: math
32
The categories of this paper are: atom-ph
11
The categories of this paper are: hep-lat
6
The categories of this paper are: astro-ph
0
The categories of this paper are: hep-ph
16
The categories of this paper are: stat
20
The categories of this paper are: acc-phys
29
The categories of this paper are: funct-an
35
The categories of this paper are: mtrl-th
30
The categories of this paper are: q-alg