Interface-induced perpendicular magnetic anisotropy in Co 2 FeAl/NiFe 2 O 4 superlattice: first-principles study

F Li, B Yang, J Zhang, X Han, Y Yan - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
A light element magnetic tunnel junction with perpendicular magnetic anisotropy (PMA) is
crucial for the realization of high thermal stability and low critical switching current in next …

First-Principles Investigation of Mercury Adsorption on the α-Fe2O3(11̅02) Surface

JE Jung, D Geatches, K Lee, S Aboud… - The Journal of …, 2015 - ACS Publications
Theoretical investigations using density functional theory (DFT) have been carried out to
understand the interaction between mercury (Hg) and hematite (α-Fe2O3), both of which are …

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 …

Effect of the biaxial strain on the electronic structure, quantum capacitance of NH3 adsorption on pristine Hf2CO2 MXene using first-principles calculations

SS Li, XH Li, XH Cui, RZ Zhang, HL Cui - Applied Surface Science, 2022 - Elsevier
The adsorption of NH 3 molecule on Hf 2 CO 2 monolayer is investigated by first-principles
calculation. The possible adsorption sites are all considered. The results show that TH-PH …

[引用][C] First Principles Study on the Adsorption of H-2 Molecules on LaFeO3 Surface

C Yu-Hong, P Chang-Chang, Z Mei-Ling, Y Li-Hua… - 2016 - CHINESE CHEMICAL SOC

Half-metallicity induced by boron adsorption on an Fe 3 O 4 (100) surface

X Sun, A Pratt, Y Yamauchi - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
The spin polarization of magnetite Fe3O4 is significantly reduced at its surfaces, which is
unfavorable for the development of spintronic devices based on this material. In order to …

Surface Functionalization Tailored Electronic Structure and Magnetic Properties of Two-Dimensional CrC2 Monolayers

X Ma, W Mi - The Journal of Physical Chemistry C, 2020 - ACS Publications
Spintronics is the promising technology for next-generation information storage due to its
low energy consumption, high speed, and high circuit integration density, where the high …

Spin polarization and magnetic characteristics at C6H6/Co2MnSi (001) spinterface

M Sun, X Wang, W Mi - The Journal of Chemical Physics, 2017 - pubs.aip.org
Organic materials with mechanical flexibility, low cost, chemical engineering, and long spin
lifetime attract considerable attention for building spintronic devices. Here, a C 6 H 6/Co 2 …

First‐Principle Study of H2 Adsorption on LaFeO3(110) Surface

YH Chen, BW Zhang, L Yang, ML Zhang… - Journal of …, 2014 - Wiley Online Library
The adsorption of H2 molecule on LaFeO3 (110) surface was studied by first‐principle
calculations. Based on the adsorption sites, adsorption energies, and electronic structures, it …

Fe adsorption on hematite (α-Fe2O3)(0001) and magnetite (Fe3O4)(111) surfaces

T Pabisiak, A Kiejna - The Journal of chemical physics, 2014 - pubs.aip.org
The structure and electronic properties of different terminations of hematite (0001) and
magnetite (111) surfaces upon submonolayer Fe adsorption were studied using the spin …