In conclusion, we have used first-principles FPLO method to
investigate the structural, electronic and magnetic properties of
Ba2CeCoO6 compound. This compound has a cubic crystalstruc-
ture with space group Fm 3m. The FM phase is found to be more
stable than PM phase. At the equilibrium lattice constant, our
calculations indicate that this compound is a half-metallic ferromagnet with an integermagnetic moment of 1.00 μB per
formula unit and half-metallic gap of 0.18eV. The half-metallicities
of Ba2CeCoO6 can be preserved when the lattice constants are
compressed by 11.1% with respect to the equilibrium lattice. Using
the quasi-harmonic Debye model, the heat capacity, bulk modulus,
Debye temperature, and thermal expansion coefficient under
temperature and pressure are investigated. The Ba2CeCoO6 compound
may be apromising material for future spintronic
application.