相关论文: Oxygen Vacancy Induced Ferromagnetism in V$_2$O$_{…
Understanding the role of defects in oxide heterostructures is crucial for future materials control and functionalization. We hence study the impact of oxygen vacancies (OVs) at variable concentrations on orbital- and spin exchange in the…
The effect of oxygen content on the magnetic and transport properties of the ferromagnetic Eu0.9Ca0.1BaCo2O5.5+{\delta} has been carried out. Unlike the increase in TC with calcium content, paradoxally the TC value decreases with the…
Two-dimensional transition metal dichalcogenides (MX$_2$) vacancy formation energetics is extensively investigated. Within an ab-initio approach we study the MX$_2$ systems, with M=Mo, W, Ni, Pd and Pt, and X=S, Se, and Te. Here we classify…
Using ab-initio calculations based on density functional theory, we investigate the effects of vacancies on the electronic and magnetic properties of zigzag SiC nanoribbons (Z-SiCNR). Single (V_C and V_Si) and double (V_SiV_Si and V_SiV_C)…
Magnetism in La$_{1-x}$Sr$_x$CoO$_3$ as a function of doping is investigated with X-ray absorption spectroscopy and X-ray magnetic circular dichroism at the O K edge, and corresponding first principles electronic structure calculations. For…
We provide a first-principles description of the crystalline and oxygen-deficient Ta2O5 using refined computational methods and models. By performing calculations on a number of candidate structures, we determined the low-temperature phase…
In the present work, we investigate oxygen vacancies (V$_\mathrm{O}$) in Co$_3$O$_4$, both in the bulk phase and under liquid-phase ethylene glycol oxidation, by combining theoretical and experimental techniques. Density functional theory…
We present a theory of carrier-induced ferromagnetism in diluted magnetic semiconductors (III_{1-x} Mn_x V) which allows for arbitrary itinerant-carrier spin polarization and dynamic correlations. Both ingredients are essential in…
This review is focused on extrinsic magnetotransport effects in ferromagnetic oxides. It consists of two parts; the second part is devoted to an overview of experimental data and theoretical models for extrinsic magnetotransport phenomena.…
Most previous investigations have shown that the surface of a ferromagnetic material may have antiferromagnetic tendencies. However, experimentally the opposite effect has been recently observed: ferromagnetism appears in some nano-sized…
The main obstacles in realizing diluted magnetic oxide (DMO) in spintronics are the unknown electronic structures associated with its high TC ferromagnetism and spin polarized current and how to manipulate desired electronic structures by…
First-principles calculations are presented for the layered perovskite Ca$_3$Mn$_2$O$_7$. The results reveal a rich set of coupled structural, magnetic and polar domains in which oxygen octahedron rotations induce ferroelectricity,…
Resistance Random Access Memory (RRAMTM) device, with its electrically induced nanoscale resistive switching capacity, has been gaining considerable attention as future non-volatile memory device. Here, we propose a mechanism of switching…
Experiments on a nearly spin degenerate two-dimensional electron system reveals unusual hysteretic and relaxational transport in the fractional quantum Hall effect regime. The transition between the spin-polarized (with fill fraction $\nu =…
Microscopic mechanisms of the puzzling insulating ferromagnetism of half-filled La$_{4}$Ba$_{2}$Cu$_{2}$O$_{10}$ are elucidated with energy-resolved Wannier states. The dominant magnetic coupling, revealed through evaluated parameters ($t$,…
Electron correlation effects caused by the topological zero mode of a hydrogenated graphene vacancy, $V_{111}$, with three adsorbed hydrogen atoms is discussed theoretically. A Kondo model is derived from the multi-reference representation…
We use density functional calculations to investigate the accommodation and migration of oxygen vacancies in bulk hexagonal YMnO$_3$, and to study interactions between neutral ferroelectric domain walls and oxygen vacancies. Our…
Ferroelectricity, especially in hafnia-based thin films at nanosizes, has been rejuvenated in the fields of low-power, nonvolatile and Si-compatible modern memory and logic applications. Despite tremendous efforts to explore the formation…
We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and…
The alterations in the magnetic properties and electronic structure of chemical vapor deposition (CVD) grown nano-dimensional molybdenum disulfide (MoS2) after low energy ion irradiation are thoroughly investigated. The formation of pure…