Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The electronic-structure origin of cation disorder in transition-metal
  oxides   Cation disorder is an important design criterion for technologically relevant
transition-metal (TM) oxides, such as radiation-tolerant ceramics and Li-ion
battery electrodes. In this letter, we use a combination of first-principles
calculations, normal mode analysis, and band-structure arguments to pinpoint a
specific electronic-structure effect that influences the stability of
disordered phases. We find that the electronic configuration of a TM ion
determines to which extent the structural energy is affected by site
distortions. This mechanism explains the stability of disordered phases with
large ionic radius differences and provides a concrete guideline for the
discovery of novel disordered compositions.

7
The categories of this paper are: hep-th
2
The categories of this paper are: math
27
The categories of this paper are: comp-gas
5
The categories of this paper are: gr-qc
28
The categories of this paper are: alg-geom
19
The categories of this paper are: eess
20
The categories of this paper are: acc-phys
3
The categories of this paper are: physics
34
The categories of this paper are: chem-ph
29
The categories of this paper are: funct-an
18
The categories of this paper are: econ
35
The categories of this paper are: mtrl-th
32
The categories of this paper are: atom-ph
10
The categories of this paper are: q-bio
9
The categories of this paper are: nlin
23
The categories of this paper are: solv-int