相关论文: Spin-Filtering Multiferroic-Semiconductor Heteroju…

The interplay between electronic eigenstates, spin, and orbital degrees of freedom, combined with fundamental breaking of symmetries is currently one of the most exciting fields of research. Multiferroics such as (GeMn)Te fulfill these…

Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate…

Transition metal oxides hold great potential for the development of new device paradigms because of the field-tunable functionalities driven by their strong electronic correlations, combined with their earth abundance and environmental…

We present a theoretical model that describes electrical spin-detection at a ferromagnet/semiconductor interface. We show that the sensitivity of the spin detector has strong bias dependence which, in the general case, is dramatically…

The detailed nature of electronic states mediating ferromagnetic coupling in dilute magnetic semiconductors, specifically (Ga,Mn)As, has been an issue of long debate. Two confronting models have been discussed emphasizing host band vs.…

The magnetic field dependent phase diagram of the ferroelectric material ${\rm Ho}_{1-x}Y_{x}MnO_{3}$ has been investigated for x = 0, 0.6, and 0.8 for fields directed along both the ab in-plane and c-axis basal plane directions. Dielectric…

Interfaces can differ from their parent compounds in terms of charge, spin, and orbital orders and are fertile ground for emergent phenomena, strongly correlated physics, and device applications. Here, we discover that ferroelectric order…

The modulation of charge density and spin order in (LaMnO$_3$)$_{2n}$/(SrMnO$_3$)$_n$ ($n$=1-4) superlattices is studied via Monte Carlo simulations of the double-exchange model. G-type antiferromagnetic barriers in the SrMnO$_{3}$ regions…

It is predicted that certain atomically ordered interfaces between some ferromagnetic metals (F) and semiconductors (S) should act as ideal spin filters that transmit electrons only from the majority spin bands or only from the minority…

We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…

The magnetic and electronic modifications induced at the interfaces in (SrMnO$_{3}$)$_{n}$/(LaMnO$_{3}$)$_{2n}$ superlattices have been investigated by linear and circular magnetic dichroism in the Mn L$_{2,3}$ x-ray absorption spectra.…

The structural inversion asymmetry-induced spin-orbit interaction of conduction band electrons in zinc-blende and wurtzite semiconductor structures is analysed allowing for a three-dimensional (3D) character of the external electric field…

We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects…

Density functional theory (DFT) has been widely applied to a variety of realistic materials but often struggles to explain the properties of correlated systems. The DFT + U method, which introduces a Hubbard U correction to the DFT, has…

We study theoretically the spin-orbit interaction of electrons confined in a tubular semiconductor nanowire, between an inner semiconductor core and an outer metallic extra shell. A band off-offset potential is present at the inner…

The complex oxide heterostructures such as LaAlO3/SrTiO3 (LAO/STO) interface are paradigmatic platforms to explore emerging multi-degrees of freedom coupling and the associated exotic phenomena. In this study, we reveal the effects of…

At crystalline interfaces where a valence mismatch exists, electronic and structural interactions may occur to relieve the polar mismatch leading to the stabilization of non-bulklike phases. We show that spontaneous reconstructions at polar…

We investigate the spin-dependent transport properties of a two-dimensional electron gas formed at oxides' interface in the presence of a magnetic field. We consider several scenarios for the oxides' properties, including oxides with…

We report on first-principles calculations of spin-dependent properties in graphene induced by its interaction with a nearby magnetic insulator (Europium oxide, EuO). The magnetic proximity effect results in spin polarization of graphene…

With the example of LaInO$_{3}$/BaSnO$_3$, we demonstrate how both density and distribution of a two-dimensional electron gas (2DEG) formed at the interface between these perovskite oxides, can be efficiently controlled by a ferroelectric…