Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-principles investigation of half-metallic ferromagnetism of
  half-Heusler compounds XYZ   We investigate the electronic structure and magnetism of half-Heusler
compounds XYZ (X, Y=V, Cr, Mn, Fe, Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, P, As,
and Sb) using the ab initio density functional theory calculations. Nine
half-metals with half-Heusler structure have been predicted with the
half-metallic gap of 0.07-0.67 eV. The calculations show that the formation
energies for these nine half-Heusler compounds range from -1.32 to -0.12
eV/f.u., and for CoCrSi, CoCrGe, CoFeGe, CoMnSi, CoMnGe, FeMnGe and FeMnAs, the
total energy differences between the half-Heusler structure and the
corresponding ground-state structure are small (0.07-0.76 eV/f.u.), thus it is
expected that they would be realized in the form of thin films under metastable
conditions for spintronic applications. The stability of the half-metallicity
of CoCrGe and FeMnAs to the lattice distortion is also investigated in detail.

26
The categories of this paper are: bayes-an
34
The categories of this paper are: chem-ph
8
The categories of this paper are: hep-ex
9
The categories of this paper are: nlin
20
The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci
24
The categories of this paper are: dg-ga
17
The categories of this paper are: q-fin
37
The categories of this paper are: supr-con
30
The categories of this paper are: q-alg
18
The categories of this paper are: econ
21
The categories of this paper are: adap-org
36
The categories of this paper are: cmp-lg
2
The categories of this paper are: math
1
The categories of this paper are: cs
3
The categories of this paper are: physics