相关论文: Substrate effects on surface magetetism of Fe/W(11…

We investigate to what extent the magnetic properties of deposited nanostructures can be influenced by selecting as a support different surfaces of the same substrate material. Fully relativistic ab initio calculations were performed for Co…

We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…

The orientation of the magnetization of a Ni(110) surface was investigated using techniques with different probing depths. By making use of electron capture into excited states of fast He atoms, we found that the magnetization of the…

Structure optimizations were performed for 1 and 2 monolayers (ML) of Fe on a 5 ML W(110) substrate employing the all-electron full-potential linearized augmented plane-wave (FP-LAPW) method. The magnetic moments were also obtained for the…

Based on ab initio calculations we determine the features and relative stability of different models proposed to describe the $(2 \times 2)$-FeO(111) reconstruction. Our results suggest that both wurtzite and spinel-like environments are…

Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…

The substrate contribution to the magnetic anisotropy energy (MAE) of supported nanostructures can be quantified by a site-selective manipulation of the spin-orbit coupling (SOC) and the effective exchange field B_ex. A systematic study of…

We have investigated crystalline magnetic anisotropy in the electric field (EF) for the Fe-Pt surface which have a large perpendicular anisotropy, by means of the first-principles approach. The anisotropy is reduced linearly with respect to…

Magnetic MXenes are turning out to be an important family of materials for exploring 2D magnetism. However, investigations into the inter-dependence of layer thickness, stacking patterns and magnetism in these materials, from a microscopic…

We report a detailed magnetic study of a new type of self-organized nanowires disclosed briefly previously [B. Borca et al., Appl. Phys. Lett. 90, 142507 (2007)]. The templates, prepared on sapphire wafers in a kinetically-limited regime,…

Magnetism at the nanoscale has been a very active research area in the past decades, because of its novel fundamental physics and exciting potential applications. We have recently performed an {\it ab intio} study of the structural,…

Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…

First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…

The magnetic anisotropy energy of Fe and Co monatomic nanowires both free-standing and at the step edge of a Pt surface is investigated within the framework of the density-functional theory and local-spin-density (LSDA) approximation.…

Through systematics density functional calculations, the mechanism of the substrate induced spin reorientation transition in FePc/O-Cu(110) was explained in terms of charge transfer and rearrangement of Fe-d orbitals. Moreover, we found…

In using the fully relativistic versions of the Embedded Cluster and Screened Korringa-Kohn-Rostoker methods for semi-infinite systems the magnetic properties of single adatoms of Fe and Co on Ir(111) and Pt(111) are studied. It is found…

The magnetic structure of a Cr monolayer on a W(110) substrate is investigated by means of first-principles calculations based on the noncollinear spin density functional theory (DFT). As magnetic ground state we find a long-period…

We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies…

Some of the synthesis methods and physical properties of iron-oxide based magnetic nanoparticles such as Fe3-xO4 and CoxFe3-xO4 are reviewed because of their interest in health, environmental applications, and ultra-high-density magnetic…

We investigate 1, 2, 3, and 4 monolayers of iron grown on the (001) surface of ZnSe using spin density functional theory, plane-wave expansion, and ultrasoft pseudopotentials. An ideal structure of the interface is plausible due to the very…