相关论文: Can a half-metallic zincblende-type structure be s…

In this work we study the structural stability and electronic properties of the Beryllium sulphide nanowires (NWs) in both zinc blende (ZB) and wurtzite (WZ) phases with triangle and hexagonal cross section, using first principle…

We present a thorough analysis of the foundations of models of stabilization of negative capacitance (NC) in a ferroelectric (FE) layer by capacitance matching to a dielectric layer, which claim that the FE is stabilized in a low…

Hybrid semiconductor-ferromagnetic insulator heterostructures are interesting due to their tunable electronic transport, self-sustained stray field and local proximitized magnetic exchange. In this work, we present lattice matched hybrid…

Using NMTO-downfolding technique we have revisited the issue of relative stability between zincblende (ZB) and wurtzite (WZ) symmetries in case of CdS, CdSe and CdTe semiconductors. Our computed ionicity factors using accurate…

We present electronic structure calculations in combination with local and non-local many-body correlation effects for the half-metallic ferromagnet CrO$_2$. Finite-temperature Dynamical Mean Field Theory results show the existence of…

From first-principles calculations, we predict that transition metal (TM) atom doped silicon nanowires have a half-metallic ground state. They are insulators for one spin-direction, but show metallic properties for the opposite spin…

The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability…

We propose that stable two-dimensional (2D) ferromagnets can be made of regular single-layered lattices of single-molecule nanomagnets with enough uniaxial magnetic anisotropy on appropriate substrates by controlling the inter-nanomagnet…

The structural, electronic, and magnetic properties of half-Heusler alloys CKMg and SiKMg are studied by using first-principle density functional theory. The calculations reveal the SiKMg alloy is a half-metallic ferromagnet with the…

We employ ab-initio electronic structure calculations and study the magnetic properties of CaN and SrN compounds crystallizing in the rocksalt structure. These alkaline-earth metal mononitrides are found to be half-metallic with a total…

It is important to spintronics to achieve fully-spin-polarized magnetic materials that are stable and can be easily fabricated. Here, through systematical density-functional-theory investigations, we achieve high and even full spin…

The extensive experimental and computational search for multifunctional materials has resulted in the development of semiconductor and oxide systems, such as (Ga,Mn)N, (Zn,Cr)Te, and HfO2, which exhibit surprisingly stable ferromagnetic…

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…

We determine experimentally the spin structure of half-metallic Co2FeAl0.4Si0.6 Heusler alloy elements using magnetic microscopy. Following magnetic saturation, the dominant magnetic states consist of quasi-uniform configurations, where a…

We propose a ferromagnetic Heusler alloy that can switch between a metal and a half-metal. Thiseffect can provide tunable spintronics properties. Using the density functional theory (DFT) withreliable implementations of the electron…

The realization of 100\% polarized topological Weyl fermions in half-metallic ferromagnets is of particular importance for fundamental research and spintronic applications. Here, we theoretically investigate the electronic and topological…

We consider theoretically the possibility of coexisting ferroelectric and metallic altermagnetic order, which has recently been predicted in insulating and semiconducting systems via ab initio calculations. Solving self-consistently a…

Multiple analytical and empirical stability criteria have been derived in the literature for two planet systems. But, the dependence of the stability limit on the initial mutual inclination between the inner and outer orbits is not well…

Single crystals of ZrAs1.4Se0.5 (PbFCl type structure) were grown by chemical vapour transport. While their thermodynamic and transport properties are typical for ordinary metals, the electrical resistivity exhibits a shallow minimum at low…

The orthorhombic antiferromagnetic compound CuMnAs was recently predicted to be an antiferromagnetic Dirac semimetal if both the Ry gliding and S2z rotational symmetries are preserved in its magnetic ordered state. In our previous work on…