Organic molecules containing conjugated π electrons acquire a magnetic moment when
adsorbed on ferromagnetic surfaces. Plane-wave DFT calculations show that pyridine …

The spin-polarization at the interface between Fe (100) and a benzene is investigated
theoretically using density functional theory for two positions of the organic molecule: planar …

First-principles calculation are presented to study the influences of external electric fields on
the spin polarization properties of benzene/Cu (100) system which do not contain any …

First principles calculations are adopted to study the spin polarization properties of
thiophene molecule which adsorbed at the Co, Fe, and Ni electrode surfaces. The density of …

Using spin-polarized density-functional calculations with generalized gradient
approximation (GGA) as the exchange-correlation functional, we report the energetics of …

Study on organic/ferromagnetic interface is helpful for understanding the effects of
magnetoresistance in organic spin-valve, because one of the reasons of leading to this …

We have performed systematic first-principles calculations to tailor the magnetic properties
at a hybrid organic-ferromagnetic interface by adsorbing organic molecules containing π …

The spin-resolved electronic states and spin polarization of a benzene molecule adsorbed
on an Fe (100) surface are investigated using spin-polarized metastable-atom deexcitation …

We report the first-principles studies of adsorption of Cu-phthalocyanine (CuPc) molecules
on Fe (001) surfaces using density functional theory with generalized gradient …

In this paper, we investigate the spin-resolved electronic states and spin polarization of the
benzene adsorbed Fe (100) surface using density functional theory. The existence of the …