Is this correct way to determine ferro-magnetism?
Posted: Tue Jul 10, 2007 4:48 am
Hi,
I have a unit cell of a dozen atoms, which renders one unpaired
electron in a spin-polarized calculation.
In order to find out how the unpaired spins interact with those
in neighboring unit cells (parallel or anti-parallel), I have doubled
the unit cell, and calculated everything again. Then I get two
unpaired electrons in the "doubled" system.
Now, which of the following statements are true:
1) The unpaired electrons of neighboring unit cells do
not pair up as up/down pairs.
2) This material is ferro-magnetic.
3) This material is not anti-ferro-magnetic.
Thank you for helping me understand this issue.
Rob.
I have a unit cell of a dozen atoms, which renders one unpaired
electron in a spin-polarized calculation.
In order to find out how the unpaired spins interact with those
in neighboring unit cells (parallel or anti-parallel), I have doubled
the unit cell, and calculated everything again. Then I get two
unpaired electrons in the "doubled" system.
Now, which of the following statements are true:
1) The unpaired electrons of neighboring unit cells do
not pair up as up/down pairs.
2) This material is ferro-magnetic.
3) This material is not anti-ferro-magnetic.
Thank you for helping me understand this issue.
Rob.