Geometric distortion and spin-dependent electronic structure of C6H6-adsorbed Fe3O4 (001): A first-principles study

M Sun, X Wang, G Chen, W Mi - Journal of Applied Physics, 2017 - pubs.aip.org
The electronic structure of C 6 H 6/Fe 3 O 4 (001) interfaces has been investigated by the
density functional theory. It is found that a weaker interaction exists between C 6 H 6 and Fe …

Adsorption and spin polarization of pyridine on Fe/W (1 1 0) interface: A DFT study

B Nharangatt, R Chatanathodi - Computational Materials Science, 2021 - Elsevier
Organic molecules containing conjugated π electrons acquire a magnetic moment when
adsorbed on ferromagnetic surfaces. Plane-wave DFT calculations show that pyridine …

Electric field induced reversal of spin polarization, magnetic anisotropy and tailored Dzyaloshinskii–Moriya interaction in underoxidized SrRuO 3/SrTiO 3 …

Z Li, X Liu, J Jiang, W Mi, H Bai - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Electric field tailored magnetic properties of the perovskite-type oxide heterostructures are
important in spintronic devices with low energy consumption and small size. Here, the …

Antiferromagnetic Order at The First Fe4N Atomic Layer in Benzene Adsorbed Fe4N Structures

Q Zhang, W Mi, X Wang - The Journal of Physical Chemistry C, 2015 - ACS Publications
The spin-polarization related properties of interface between benzene and Fe4N is
calculated by first-principle theory. The subtleties due to the atomic layers of Fe4N are focal …

Magnetic moment enhancement and spin polarization switch of the manganese phthalocyanine molecule on an IrMn (100) surface

X Sun, B Wang, A Pratt, Y Yamauchi - The Journal of Chemical Physics, 2014 - pubs.aip.org
The geometric, electronic, and magnetic structures of a manganese phthalocyanine (MnPc)
molecule on an antiferromagnetic IrMn (100) surface are studied by density functional theory …

Spin-polarization inversion at small organic molecule/Fe4N interfaces: A first-principles study

Q Zhang, W Mi - Journal of Applied Physics, 2015 - pubs.aip.org
We report the first-principles calculations on the electronic structure and simulation of the
spin-polarized scan tunneling microscopy graphic of the small organic molecules (benzene …

Spin-sensitive shape asymmetry of adatoms on noncollinear magnetic substrates

D Serrate, Y Yoshida, M Moro-Lagares, A Kubetzka… - Physical Review B, 2016 - APS
The spin-resolved density of states of Co atoms on a noncollinear magnetic support displays
a distinct shape contrast, which is superimposed on the regular height contrast in spin …

Tunneling anisotropic magnetoresistance effect of single adatoms on a noncollinear magnetic surface

NM Caffrey, S Schröder, P Ferriani… - Journal of Physics …, 2014 - iopscience.iop.org
The tunneling anisotropic magnetoresistance (TAMR) effect demonstrates the sensitivity of
spin-polarized electron transport to the orientation of the magnetization with respect to the …

Spin polarization and spin channel reversal in graphitic carbon nitrides on top of an α-Fe 2 O 3 (0001) surface

J Jiang, X Wang, W Mi - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
Inducing the spin-dependent characteristics in two-dimensional (2D) materials by magnetic
proximity effects is a recent targeted route for 2D spintronic devices. Here, we report the spin …

Fullerene antiferromagnetic reconstructed spinterface subsurface layer dominates multi-orbitals spin-splitting and large magnetic moment in C60

Y Shao, R Pang, H Pan, X Shi - arXiv preprint arXiv:1610.08247, 2016 - arxiv.org
The interfaces between organic molecules and metal surfaces with layered
antiferromagnetic order have gained increasing interests in the field of antiferromagnetic …