I work on first-principles calculations of DMSs, where I substitute one cation with a 3d transition metal element in a host semiconductor, I plotted the Projected bandstructure and projected density of states (DOSs) of my compound.
How can I determine from these plots the type of exchange interaction ( double exchange, p-d exchange, anti-ferromagnetic or ferromagnetic superexchange, RKKY exchange )?I see the paper: J.Phys.:Condens.Matter19(2007)436227
What I have understood is :
- When the broadening of impurity 3d bands around Fermi level (Ef) is partially occupied and situated above p anion states of the host semiconductor, resulting in double exchange interaction.
- The presence of 3d states below the p anion states in the upper part of the valence band (VB) resulting in p-d exchange interaction.
- some compounds have both double and p-d exchange interactions.
- some compounds can have a competition of double and superexchange interaction depending on the position of Ef in top 3d bands.
- In the anti-ferromagnetic superexchange interaction, we need two impurities in the system with anti-parallel aligned and having equal concentrations of c/2, the electronic states with the same spin direction hybridize with each other.
But I am still confused about Superexchange anti-ferromagnetic and ferromagnetic.
Is needed two 3d impurities in the studied compounds? or can occur by the presence of one impurity in the unit Cell?For the ferromagnetic superexchange interaction, is needed to two impurities in both of them Fermi level falls between eg and t2g states of majority (or minority) spin channel? How occupied and empty states in the same spin channel can hybridize with each other?How can I determine RKKY interaction from DOSs? What is the intra-atomic exchange constant J_H? how can calculate? and how it can help to determine is strong or week?Thank you in advance.