Related papers: Half-metallic silicon nanowires
The effect of chemical doping on the ZSiNRs with Mn as passivating element replacing H atoms at one edge are investigated by first principles calculations.The structures optimized in the typical ferromagnetic and antiferromagnetic coupling…
Nodal-line metals and semimetals, as interesting topological states of matter, have been mostly studied in nonmagnetic materials. Here, based on first-principles calculations and symmetry analysis, we predict that fully spin-polarized Weyl…
The multifunctional materials with prominent properties such as electrical, ferroelectric, magnetic, optical and magneto-optical are of keen interest to several practical implications. In the roadmap of designing such materials, in the…
In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be…
Compensated ferrimagnets are promising materials for fast spintronic applications based on domain wall motion as they combine the favourable properties of ferromagnets and antiferromagnets. They inherit from antiferromagnets immunity to…
The step edges on the Si(553)-Au surface undergo a 1 x 3 reconstruction at low temperature which has recently been interpreted theoretically as the x3 ordering of spin-polarized silicon atoms at the edges of the graphitic Si nanowires on…
We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…
First-principles calculations reveal half metallicity in zigzag boron nitride (BN) nanoribbons (ZBNNRs). When the B edge, but not the N edge, of the ZBNNR is passivated, despite being a pure $sp$-electron system, the ribbon shows a giant…
A review of electronic properties of insulating-, boron- and phosphorus-doped diamond is given. The main goal is, to show data in a wider context, to reveal trends and limitations with respect to carrier mobilities, conductivities, p- and…
Topological spin structures such as magnetic skyrmions are of fundamental interest and promising for various types of applications in spintronics. Skyrmions have been predicted to emerge also in antiferromagnetic materials where they…
We study by means of density-functional calculations the role of lateral surface reconstructions in determining the electrical properties of <100> silicon nanowires. The different lateral reconstructions are explored by relaxing all the…
We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations…
Possibility of a ferromagnetic semiconductor single wall carbon nanotube (SWCNT), where ferromagnetism is due to coupling between doped magnetic impurity on a zigzag SWCNT and electrons spin, is investigate. We found, in the weak…
Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…
Magnetic semiconductors have attracted interest because of the question of how a magnetic metal can be derived from a paramagnetic insulator. Here our approach is to carrier dope insulating FeSi and we show that the magnetic half-metal…
A recent study of the photonic coupling between metallic nanowires has revealed new degrees of freedom in the system. Unexpected spin torques were induced on dimers when illuminated with linearly polarized plane-waves. As near-field…
We use quantum Monte Carlo to determine the magnetic and transport properties of coupled square lattice spin and fermionic planes as a model for a metal-insulator interface. Specifically, layers of Ising spins with an intra-layer exchange…
It is essential to explore two-dimensional (2D) material with magnetic ordering in new generation spintronic devices. Particularly, the seeking of room-temperature 2D ferromagnetic (FM) materials is a hot topic of current research. Here, we…
The double perovskite material \SFMO has the rare and desirable combination of a half-metallic ground state with 100% spin polarization and ferrimagnetic \Tc$\simeq 420$K, well above room temperature. In this two-part paper, we present a…
Ferroelectric topological objects (e.g. vortices, skyrmions) provide a fertile ground for exploring emerging physical properties that could potentially be utilized in future configurable nanoelectronic devices. Here, we demonstrate…