相关论文: Slater-Pauling behavior in half-metallic magnets
Employing first-principles calculations we study the structural, electronic and magnetic properties of the [Sc$_{1-x}$V$_x$]C and [Sc$_{1-x}$V$_x$]Si alloys. In their equilibrium rocksalt structure all alloys are non-magnetic. The…
The review treats Heusler alloys that display distinctive functional properties, including shape-memory behavior and magnetocaloric effects. Particular emphasis is placed on Heusler systems in which half-metallic ferromagnetism and…
Dimerization of a spin-half Heisenberg antiferromagnet on a square lattice is investigated for several possible dimerized configurations, some of which are shown to have lower ground state energies than the others. In particular, the…
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 electrical resistivity, magnetization, and Hall effect in Co$_2$FeZ (Z = Al, Si, Ga, Ge, Sn, Sb) ferromagnetic Heusler alloys are studied. A number of correlations between the electronic and magnetic characteristics of the studied…
A review of new developments in theoretical and experimental electronic structure investigations of half-metallic ferromagnets (HMF) is presented. Being semiconductors for one spin projection and metals for another ones, these substances…
Dimerization of a spin-half Heisenberg antiferromagnet on a square lattice is investigated by taking unexpanded exchange couplings. Several dimerized configurations are considered some of which are shown to have lower ground state energies…
In this paper, we investigate CoFeCrAl alloy by means of various experimental techniques and ab-initio calculations to look for half-metallic nature. The alloy is found to exist in the cubic Heusler structure, with presence of B2 ordering.…
Surprising enhancement of the magnetic moments recently observed in dilute Co-Mn alloy clusters is explained using ab initio electronic structure calculations. The calculated magnetic moments generally agree with the reported experimental…
We review the electronic and magnetic properties of the quinternary full Heusler alloys of the type Co$_2$[Cr$_{1-x}$Mn$_x$][Al$_{1-y}$Si$_y$] employing three different approaches : (i) the coherent potential approximation (CPA), (ii) the…
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 $\textit{XYZ}$ half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr, Mn, Fe, Ni,…
The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended…
A concept is presented serving to guide in the search for new materials with high spin polarization. It is shown that the magnetic moment of half-metallic ferromagnets can be calculated from the generalized Slater-Pauling rule. Further, it…
Employing {\it ab initio} electronic structure calculations we extensively study ternary Heusler compounds having the chemical formula X$_2$X$^\prime$Z, where X = Mn, Fe or Co; Z = Al or Si; and X$^\prime$ changes along the row of 4$d$…
We calculate the magnetization of the helical metallic surface states of a topological insulator. We account for the presence of a small sub-dominant Schr{\"o}dinger piece in the Hamiltonian in addition to the dominant Dirac contribution.…
Li-based half-Heusler alloys have attracted much attention due to their potential applications in optoelectronics and because they carry the possibility of exhibiting large magnetic moments for spintronic applications. Due to their…
We investigate the coupling between two singlet superconductors separated by a half-metallic magnet. The mechanism behind the coupling is provided by the rotation of the quasiparticle spin in the superconductor during reflection events at…
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…
When the impurity mean free path is short, only spin-polarized Cooper pairs which are non-locally and antisymmetrically correlated in time may exist in a half-metallic ferromagnet. As a consequence, the half-metal acts as an odd-frequency…
Existence of ferromagnetism in bulk calcium compounds is discovered theoretically. First-principles calculations of calcium phosphide, calcium arsenide and calcium antimonide in the zinc-blende structure have been performed to show the…