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["Dun Tom" <hydeng2007@gmail.com>]

Dear all,

 

I've read a paper about the phonon dispersion of CoO by DFT.

(see: Lattice dynamics of CoO from first principles, Phys. Rev. B 75, 104306 (2007), doi:10.1103/PhysRevB.75.104306,

 link: http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRBMDO000075000010104306000001&idtype=cvips&gifs=yes )

 

In this paper, the author point out that CoO is antiferromagnetic order and the magnetic cell is twice as large as the crystallographic unit cell. Therefore, I think that the number of the phonos at Gamma ponit is twice as large as the author's result, i.e. there should be 8 phonons at gamma point! If we perform a spin calculation, I think, the number of the vibration branches should increase since the number of the primitve cell has changed!

 

However, I'm not sure my discussion! I really want someone can give me suggestion!

 

Thanks!

Regards!

Rainman