相关论文: Half-metallic silicon nanowires

On the basis of the spin-polarized density functional theory calculations, we demonstrate that partially-open carbon nanotubes (CNTs) observed in recent experiments have rich electronic and magnetic properties which depend on the degree of…

Motivated by the ongoing interest in nitrides as materials for spintronics applications we have studied effects of doping with magnetic transition-metal elements (T=Cr,Mn,Fe,Co and Ni) on the electronic properties of semiconducting scandium…

Half-metals have fully spin polarized charge carriers at the Fermi surface. Such polarization usually occurs due to strong electron--electron correlations. Recently [Phys. Rev. Lett. {\bf{119}}, 107601 (2017)], we have demonstrated…

Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso code. The properties studied are electronic, optical, and…

Moderate amount of bending strains, ~3% are enough to induce the semiconductor-metal transition in Si nanowires of ~4nm diameter. The influence of bending on silicon nanowires of 1 nm to 4.3 nm diameter is investigated using molecular…

We describe a new possible route to the metal-insulator transition in doped semiconductors such as Si:P or Si:B. We explore the possibility that the loss of metallic transport occurs through Mott localization of electrons into a quantum…

A detailed investigation of the electronic - and magneto - transport properties of Nd0.8Sr0.2MnO3 with the variation of grain size (down to 42 nm) is presented here. Interestingly, we observe that the ferromagnetic insulating state is…

We theoretically argue that, in doped AB bilayer graphene, the electron-electron coupling can give rise to the spontaneous formation of fractional metal phases. These states, being generalizations of a more common half-metal, have a Fermi…

Characterized by bulk Dirac or Weyl cones and surface Fermi-arc states, topological semimetals have sparked enormous research interest in recent years. The nanostructures, with large surface-to-volume ratio and easy field-effect gating,…

We study theoretically the current debatable issue about the effect of transition-metal (TM) substitution in iron-based superconductors through treating all of the TM ions as randomly distributed impurities. The extra electrons from TM…

Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which…

We predict intrinsic half-metallicity in armchair boron nitride nanoribbons (ABNNRs) via edge fluorination. The stability, electronic and magnetic properties of bare and edge fluorinated ABNNRs have been systematically analyzed by means of…

Itinerant spin polaron and metallic ferromagnetism are theoretically predicted in the Mott insulator in semiconductor moir\'e superlattices doped below and above half filling of the narrow moir\'e band, respectively. The existence of spin…

The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity…

Half-metals, featuring ideal 100\% spin polarization, are widely regarded as key materials for spintronic and quantum technologies; however, the half-metallic state is intrinsically fragile, as it relies on a delicate balance of exchange…

We propose a spin valve device based on the interplay of a modulated spin-orbit interaction and a uniform external magnetic field acting on a quantum wire. Half-metal phases, where electrons with only a selected spin polarization exhibit…

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure…

Metal nanoparticles are the most frequently used nanostructures in plasmonics. However, besides nanoparticles, metal nanowires feature several advantages for applications. Their elongation offers a larger interaction volume, their…

Moir\'e heterostructures of transition metal dichalcogenides exhibit Mott-insulating behaviour both at half-filling as well as at fractional fillings, where electronic degrees of freedom form self-organized Wigner crystal states. An open…