Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Controlling the TiN electrode work function at the atomistic level: a
  first principles investigation   The paper reports on a theoretical description of work function of TiN, which
is one of the most used materials for the realization of electrodes and gates
in CMOS devices. Indeed, although the work function is a fundamental quantity
in quantum mechanics and also in device physics, as it allows the understanding
of band alignment at heterostructures and gap states formation at the
metal/semiconductor interface, the role of defects and contaminants is rarely
taken into account. Here, by using first principles simulations, we present an
extensive study of the work function dependence on nitrogen vacancies and
surface oxidation for different TiN surface orientations. The results
complement and explain a number of existent experimental data, and provide a
useful tool to tailoring transport properties of TiN electrodes in device
simulations.

9
The categories of this paper are: nlin
21
The categories of this paper are: adap-org
20
The categories of this paper are: acc-phys
3
The categories of this paper are: physics
0
The categories of this paper are: hep-ph
23
The categories of this paper are: solv-int
29
The categories of this paper are: funct-an
36
The categories of this paper are: cmp-lg
26
The categories of this paper are: bayes-an
19
The categories of this paper are: eess
7
The categories of this paper are: hep-th
11
The categories of this paper are: hep-lat
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
22
The categories of this paper are: chao-dyn