The magnetism of Fe 4 N/oxides (MgO, BaTiO 3, BiFeO 3) interfaces from first-principles calculations
N Feng, W Mi, X Wang, H Bai - RSC Advances, 2014 - pubs.rsc.org
The geometry, bonding, electronic and magnetic properties of Fe4N/oxides (MgO, BaTiO3
and BiFeO3) interfaces with different configurations are performed using first-principles …
and BiFeO3) interfaces with different configurations are performed using first-principles …
Surface enhanced single-molecule magnetism involving 4f spin
Y Zhang - Applied Physics Letters, 2016 - pubs.aip.org
We study the magnetic anisotropy energy (MAE) of the isolated and deposited Eu (C 8 H 8)
2 by first-principles calculations considering the van der Waals correction and the strong …
2 by first-principles calculations considering the van der Waals correction and the strong …
First-principles calculations of the BeO monolayer with chemical functionalization
H Liu, K Feng, H Lu, X Meng - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Recently, extensive experimental and theoretical studies on two-dimensional materials have
attracted enormous interest in exploring the properties of these materials by decorating their …
attracted enormous interest in exploring the properties of these materials by decorating their …
Symmetry-selected spin-split hybrid states in interfaces
The understanding of orbital hybridization and spin polarization at the organic-ferromagnetic
interface is essential in the search for efficient hybrid spintronic devices. Here, using first …
interface is essential in the search for efficient hybrid spintronic devices. Here, using first …
Theoretical prediction of two-element two-dimensional layered structures and efficient doping engineering on carbon phosphide
S Liu, B Liu, T Wang, S Zhu, Y Li - Journal of Materials Chemistry C, 2023 - pubs.rsc.org
Two-dimensional (2D) materials with flexible structures and suitable band gaps have
significant potential for applications in spintronics. Recent studies have highlighted the …
significant potential for applications in spintronics. Recent studies have highlighted the …
Strain tailored electronic structure and magnetic properties of Fe-doped Zr8C4T8 (T= F, O) monolayers
X Duan, B Zhou, X Wang - Physica E: Low-dimensional Systems and …, 2023 - Elsevier
Two-dimensional MXenes materials, owing to their unique electronic properties, have
potential applications in novel low-dimensional spintronic devices. Here, the different …
potential applications in novel low-dimensional spintronic devices. Here, the different …
Novel Graphene-like Co2VAl (111): Case Study on Magnetoelectronic and Optical Properties by First-Principles Calculations
A Boochani, B Nowrozi, J Khodadadi… - The Journal of …, 2017 - ACS Publications
The electronic, magnetic, and optical properties of the Co2VAl (111) graphene-like (GL)
monolayer as well as the (101) and (011) terminations have been calculated on the basis of …
monolayer as well as the (101) and (011) terminations have been calculated on the basis of …
Spin- and Angle-Resolved Photoemission Study of the Alq3/Co Interface
J Stöckl, A Jurenkow, N Großmann… - The Journal of …, 2018 - ACS Publications
Controlling the interaction between organic semiconductors and ferromagnetic surfaces is
one of the key issues for designing metal–organic hybrid interfaces for spintronic …
one of the key issues for designing metal–organic hybrid interfaces for spintronic …
Effect of NH3 preadsorption on SO2 adsorption on Hf2CO2 MXene
RZ Zhang, XH Li, HL Cui - Solid State Communications, 2024 - Elsevier
Preadsorbing suitable gas molecule on the substrate can effectively improve the adsorption
strength of the system. The adsorption properties of preadsorping NH 3 on SO 2-adsorbed …
strength of the system. The adsorption properties of preadsorping NH 3 on SO 2-adsorbed …
First principle study on the interactions of NH3, NOx and O2 with Fe3O4 (1 1 1) surfaces
S Hou, D Fang, Q Jin, Y Ye, Q Li, F He, J Xie - Applied Surface Science, 2022 - Elsevier
The interactions of NH 3, NO x and O 2 with two Fe 3 O 4 (1 1 1) surfaces named Fe tet-and
Fe oct-tet-terminated, respectively, were investigated by first principle calculation. The …
Fe oct-tet-terminated, respectively, were investigated by first principle calculation. The …