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cond-mat.mtrl-sci2009
Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12
Changhoon Lee, Erjun Kan, Myung-Hwan Whangbo
LaCu3Fe4O12 undergoes a phase transition at 393 K involving the spin order (SO) of the Fe sites and the charge order (CO) resulting in Cu-Fe intersite charge transfer. On the basis…
cond-mat.mtrl-sci2009
On the Two-Dimensional Character of the Magnetic Properties of Azurite Cu3(CO3)2(OH)2
Jinhee Kang, Changhoon Lee, Reinhard K. Kremer +1
The spin lattice appropriate for Azurite Cu3(CO3)2(OH)2 was determined by evaluating its spin exchange interactions on the basis of first principles density functional calculations…