相关论文: Half-Metallic Ferrimagnetism in Mn_2VAl
We demonstrate that the inclusion of van der Waals dispersive interaction sensibly improves the prediction of lattice constants by density functional theory in iron-chalcogenides (FeCh) superconductor compounds, namely FeSe and FeTe. We…
The mechanical and magnetic properties of the newly discovered MAB-phase class of materials based upon AlFe2B2 were investigated. The samples were synthesised from stoichiometric amounts of all constituent elements. X-ray diffraction shows…
We demonstrate efficient spin-polarized tunneling between a ferromagnetic metal and a ferromagnetic semiconductor with highly mismatched conductivities. This is indicated by a large tunneling magnetoresistance (up to 30%) at low…
In this work, we report the successful synthesis of a Fe-based novel half-metallic quaternary Heusler alloy FeMnVGa and its structural, magnetic and transport properties probed through different experimental methods and theoretical…
We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…
We derive and motivate a Laplacian-level, orbital-free meta-generalized-gradient approximation (LL-MGGA) for the exchange-correlation energy, targeting accurate ground-state properties of $sp$ and $sd$ metallic condensed matter, in which…
Two-dimensional multiferroic van der Waals heterostructures provide a promising platform for the simultaneous control of distinct ferroic orders, with potential applications in magnetoelectric devices and spintronics. The practical…
We present a brief review of experimental and theoretical papers on studies of electron transport and magnetic properties in manganese-based compounds Mn$_2$YZ and Mn$_3$Z (Y = V, Cr, Fe, Co, Ni, etc.; Z = Al, Ge, Sn, Si, Pt, etc.). It has…
We have investigated the magnetic properties of a GaN/Ga1-xMnxN (x = 0.1) digital ferromagnetic heterostructure (DFH) showing ferromagnetic behavior using soft x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism…
We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation…
We report a series of calculations testing the predictions of the Tran-Blaha functional for the electronic structure and magnetic properties of condensed systems. We find a general improvement in the properties of semiconducting and…
The quasiparticle band structures of 3d transition metals, ferromagnetic Fe, Ni and paramagnetic Cu, are calculated by the GW approximation. The width of occupied 3d valence band, which is overestimated in the LSDA, is in good agreement…
Semilocal density functionals for the exchange-correlation energy are needed for large electronic systems. The Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation (meta-GGA) is semilocal and usefully accurate, but…
Although InP and GaAs have very similar band-structure their magnetic properties appear to drastically differ. Critical temperatures in (In,Mn)P are much smaller than that of (Ga,Mn)As and scale linearly with Mn concentration. This is in…
Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations, we systematically studied the electronic band structure of Mn$_3$Ge in the vicinity of the Fermi level. We observe several bands…
The electronic and magnetic properties of transition-metal doped $\beta$-Ge3N4 have been studied using first-principles calculations. The results show that the substitutional transition-metal impurities tend to cluster. The V and Cr doped…
Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric applications are generally small-gap semiconductors and should have a…
We report on electronic transport measurements of electrostatically gated nano-devices of the semimetal WTe\textsubscript{2}. High mobility metallic behavior is achieved in the 2D limit by encapsulating thin flakes in an inert atmosphere.…
Current-driven magnetization reversal in a ferromagnetic semiconductor based (Ga,Mn)As/GaAs/(Ga,Mn)As magnetic tunnel junction is demonstrated at 30 K. Magnetoresistance measurements combined with current pulse application on a rectangular…
We study the dc transport properties of (Ga,Mn)As diluted magnetic semiconductors with Mn concentration varying from 1.5% to 8%. Both diagonal and Hall components of the conductivity tensor are strongly sensitive to the magnetic state of…