是的,我也没看到过加入spiral modulation的计算,需要的晶胞太大了。你就这么跟审稿人明说就是了。最近刚看到有篇PRL(http://prl.aps.org/abstract/PRL/v103/i4/e047204)也说道这个问题,这是原文:
Note that BFO bulk is in fact nearly G-type antiferromagnetic (AFM), since it rather exhibits a cycloidal arrangement of the magnetic moments
with a length around 640 A ° [6,15]. Such cycloid does not
exist in BFO films [8], and is not found in our simulations
for bulks (because it likely requires much larger supercells
than those used here or additional interactions to be incorporated
into Etot). Our results should thus be valid for
relaxed BFO films. They also should qualitatively apply to
BFO bulks, by making a one-to-one correspondence between the field-induced directions of the AFM vector to be
predicted here and the directions of propagation of the
cycloid to be measured.