Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A first-principles investigation of pressure induced topological phase
  transition in Half-Heusler AgSrBi   Topological Insulators (TI) are materials with novel quantum states which
exhibit a bulk insulating gap while the edge/surface is conducting. This has
been extensively explored in several Half-Heusler (HH) compounds hosting the
exotic TI behaviour. In the present work we employ, first-principles based
Density Functional Theory to perform thorough investigations of pressure
induced topological phase transition (TPT) in HH AgSrBi which belongs to the
F-43m space group. AgSrBi is intrinsically semi-metallic in nature which, under
isotropic pressure exhibits semi-metal to trivial insulator transition
retaining the cubic symmetry whereas, on breaking the cubic symmetry we observe
the much sought after non-trivial semi-metal to TI phase transition. We also
explore the effect of lowering crystal symmetry in realizing TI nature.
Following this we perform qualitative analysis of the electronic properties to
understand the origin of this non-trivial behavior followed by the quantitative
analysis of the Z$_2$ classification which indicates that AgSrBi is a strong TI
(i.e., Z$_2$ = (1, 101)). We thus, propose AgSrBi as a dynamically stable TI
which can be used as ultra-thin films thermoelectric and nanoelectronic
applications.

37
The categories of this paper are: supr-con
34
The categories of this paper are: chem-ph
14
The categories of this paper are: math-ph
15
The categories of this paper are: nucl-ex
35
The categories of this paper are: mtrl-th
23
The categories of this paper are: solv-int
20
The categories of this paper are: acc-phys
10
The categories of this paper are: q-bio
26
The categories of this paper are: bayes-an
7
The categories of this paper are: hep-th
27
The categories of this paper are: comp-gas
29
The categories of this paper are: funct-an
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
8
The categories of this paper are: hep-ex
22
The categories of this paper are: chao-dyn