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cond-mat.mtrl-sci2009
Theoretical study of electronic and atomic structures of (MnO)n
Hiori Kino, Lucas K. Wagner, Lubos Mitas
We calculate the electronic and atomic structure of (MnO)n (n=1-4) using the HF exchange, VWN, PBE and B3LYP exchange-correlation functionals. We also perform diffusion Monte Carlo…
cond-mat.mtrl-sci2008★ 12 cited
Re-examination of half-metallic ferromagnetism for doped LaMnO3 in quasiparticle self-consistent method
Takao Kotani, Hiori Kino
We apply the quasiparicle self-consistent (\qsgw) method to a cubic virtual-crystal alloy LaBaMnO %(LBMO) as a theoretical representative for colossal magnetor…