Related papers: Half-metallic Zinc-blende Compounds
We propose a strategy to obtain conducting organic materials with fully spin-polarized Fermi surface, lying at a singular flat band, with antiferromagnetically coupled magnetic moments that reside in pi-orbitals of nanographenes. We…
First-principle calculations were performed within the framework of the density functional theory (DFT) using FP-LAPW method as implemented in WIEN2k code to determine the structural stability, electronic and magnetic properties of…
We present a comprehensive study of the band alignments of two-dimensional (2D) semiconducting materials and highlight the possibilities of forming momentum-matched type I, II and III heterojunctions; an enticing possibility being atomic…
The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…
In this research paper, we investigated the structural, electronic, and magnetic features of titanium atom substituting calciumatom in rock salt structure of CaS to explore the new dilute magnetic semiconductor compounds. The calculations…
Nanostructuring has spurred a revival in the field of direct thermoelectric energy conversion. Nanograined materials can now be synthesized with higher figures of merit (ZT) than the bulk counterparts. This leads to increased conversion…
We characterize conservative median algebras and semilattices by means of forbidden substructures and by providing their representation as chains. Moreover, using a dual equivalence between median algebras and certain topological…
Recent studies have demonstrated the potential of antiferromagnets as the active component in spintronic devices. This is in contrast to their current passive role as pinning layers in hard disk read heads and magnetic memories. Here we…
Secondary-ion Mass Spectrometry (SIMS) is used to determine impurity concentrations of carbon and oxygen in two scandium containing nitride semiconductor multilayer heterostructures: ScxGa1-xN/GaN and ScxAl1-xN/AlN grown by molecular beam…
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…
We report the synthesis and characterization of bulk form diluted magnetic semiconductors I-II-V Li1.1(Zn1-xCrx)As (x = 0.03, 0.05, 0.10, 0.15)with a cubic crystal structure identical to that of III-V GaAs and II-VI zinc-blende ZnSe. With…
Results of Co and Ni substituted AlN in the zinc blende phase are presented. For spin up states the hybridized N-2p and Co/Ni-3d states form the valance bands with a bandgap around the Fermi level for both materials, while in the case of…
First-principles calculations and a tight-binding analysis predict that the iron-pnictide BaCrFeAs2 is a promising candidate for half-metallic material with fully-compensated magnetization. The transition-metal ions Cr and Fe prefer the…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
Single-crystal Heusler atomic-scale superlattices that have been predicted to exhibit perpendicular magnetic anisotropy and half-metallicity have been successfully grown by molecular beam epitaxy. Superlattices consisting of full-Heusler…
To seek half-metallic ferromagnets compatible with the GeSi semiconductor, we use state-of-the-art density-functional-theory methods to study cubic $\mathrm{VGe_3Si_4}$. After optimizing its crystal structure with various magnetic orders…
Chromium dioxide (CrO2) offers a rare example of metallic ferromagnetism among stoichiometric transition-metal oxides. What makes it even more remarkable is the half-metallic electronic structure. Today, CrO2 is widely used in…
Half-metallic Heusler alloys are amongst the most promising materials for future magnetoelectronic applications. We review some recent results on the electronic properties of these compounds. The origin of the gap in these half-metallic…
Junction between metal, superconductor and semiconductor materials seems to be promising for their applications as the electronic devices, microelectronic devices and high power transmission. E-mail [email protected].
We compute the structure of an azamacrocycle, C26H18N6. Two approximatively planar elliptical structures with C2 or CI symmetry are found to be nearly degenerate. The roughly circular conformation observed in metal complexes turns out to be…