Search results for "CORRELATE"
showing 10 items of 1259 documents
On the Kirzhnits gradient expansion in two dimensions
2011
We derive the semiclassical Kirzhnits expansion of the D-dimensional one-particle density matrix up to the second order in $\hbar$. We focus on the two-dimensional (2D) case and show that all the gradient corrections both to the 2D one-particle density and to the kinetic energy density vanish. However, the 2D Kirzhnits expansion satisfies the consistency criterion of Gross and Proetto [J. Chem. Theory Comput. 5, 844 (2009)] for the functional derivatives of the density and the noninteracting kinetic energy with respect to the Kohn-Sham potential. Finally we show that the gradient correction to the exchange energy diverges in agreement with the previous linear-response study.
Surface resonance of thin films of the Heusler half-metal Co2MnSi probed by soft x-ray angular resolved photoemission spectroscopy
2019
Heusler compounds are promising materials for spintronics with adjustable electronic properties including 100% spin polarization at the Fermi energy. We investigate the electronic states of AlOx capped epitaxial thin films of the ferromagnetic half-metal Co2MnSi ex situ by soft x-ray angular resolved photoemission spectroscopy (SX-ARPES). Good agreement between the experimental SX-ARPES results and photoemission calculations including surface effects was obtained. In particular, we observed in line with our calculations a large photoemission intensity at the center of the Brillouin zone, which does not originate from bulk states, but from a surface resonance. This provides strong evidence f…
Heusler Compounds—A Material Class With Exceptional Properties
2011
The class of Heusler compounds, including the XYZ and the X2YZ compounds, has not only an endless number of members, but also a vast variety of properties can be found in this class of materials, ranging from semiconductors, half-metallic ferromagnets, superconductors, and topological insulators to shape memory alloys. With this review article, we would like to provide an overview of Heusler compounds, focusing on their structure, properties, and potential applications.
Observation of the Anomalous Hall Effect in a Collinear Antiferromagnet
2020
Time-reversal symmetry breaking is the basic physics concept underpinning many magnetic topological phenomena such as the anomalous Hall effect (AHE) and its quantized variant. The AHE has been primarily accompanied by a ferromagnetic dipole moment, which hinders the topological quantum states and limits data density in memory devices, or by a delicate noncollinear magnetic order with strong spin decoherence, both limiting their applicability. A potential breakthrough is the recent theoretical prediction of the AHE arising from collinear antiferromagnetism in an anisotropic crystal environment. This new mechanism does not require magnetic dipolar or noncollinear fields. However, it has not …
Correlation in the transition metal based Heusler compounds Co$_2$MnSi and Co$_2$FeSi
2006
Half-metallic ferromagnets like the full Heusler compounds with formula X$_2$YZ are supposed to show an integer value of the spin magnetic moment. Calculations reveal in certain cases of X = Co based compounds non-integer values, in contrast to experiments. In order to explain deviations of the magnetic moment calculated for such compounds, the dependency of the electronic structure on the lattice parameter was studied theoretically. In local density approximation (LDA), the minimum total energy of Co$_2$FeSi is found for the experimental lattice parameter, but the calculated magnetic moment is about 12% too low. Half-metallic ferromagnetism and a magnetic moment equal to the experimental v…
Transition of laser-induced terahertz spin currents from torque- to conduction-electron-mediated transport
2022
Spin transport is crucial for future spintronic devices operating at bandwidths up to the terahertz range. In F|N thin-film stacks made of a ferromagnetic/ferrimagnetic layer F and a normal-metal layer N, spin transport is mediated by (1) spin-polarized conduction electrons and/or (2) torque between electron spins. To identify a crossover from (1) to (2), we study laser-driven spin currents in F|Pt stacks where F consists of model materials with different degrees of electrical conductivity. For the magnetic insulators yttrium iron garnet, gadolinium iron garnet (GIG) and γ−Fe2O3, identical dynamics is observed. It arises from the terahertz interfacial spin Seebeck effect (SSE), is fully det…
Dzyaloshinskii-Moriya interaction induced by an ultrashort electromagnetic pulse: Application to coherent (anti)ferromagnetic skyrmion nucleation
2020
We show how a Dzyaloshinskii-Moriya interaction can be generated in an ultrathin metal film from the induced internal electric field created by an ultrashort electromagnetic pulse. This interaction does not require structural inversion-symmetry breaking, and its amplitude can be tuned depending on the amplitude of the field. We perform first-principles calculations to estimate the strength of the field-induced magnetoelectric coupling for ferromagnetic Fe, Co, and Ni, and antiferromagnetic Mn, as well as FePt alloys. Last, using atomistic simulations, we demonstrate how an isolated antiferromagnetic skyrmion can be coherently nucleated from the collinear background by an ultrashort pulse in…
Enhancing Light Emission in Interface Engineered Spin-OLEDs Through Spin-Polarized Injection at High Voltages
2016
The quest for a spin-polarized organic light emitting diode (spin-OLED) is a common goal in the emerging fields of molecular electronics and spintronics. In this device two ferromagnetic electrodes are used to enhance the electroluminescence intensity of the OLED through a magnetic control of the spin polarization of the injected carriers. The major difficulty is that the driving voltage of an OLED device exceeds of a few volts, while spin injection in organic materials is only efficient at low voltages. We report here the fabrication of a spin-OLED that uses a conjugated polymer as bipolar spin collector layer and ferromagnetic electrodes. Through a careful engineering of the organic/inorg…
Doping effects on the magnetic frustration in the honeycomb iridates
2015
We investigate the doping effects of magnetic and nonmagnetic impurities injected to the honeycomb iridate sample of Na2IrO3 . Both the doping result in changing the ordering temperature as well as the Curie-Weiss temperature of the parent sample as a consequence of enhancement of the lattice frustration, screening of the Ir atoms and spin-orbit effects that reflects in the susceptibility and specific heat measurements. Our findings are corroborated by a detailed comparative study of various magnetic and nonmagnetic impurity atoms that have notable effects on different electronic properties of the doped compounds.
Completely compensated ferrimagnetism and sublattice spin crossing in the half-metallic Heusler compound Mn1.5FeV0.5Al
2016
The Slater-Pauling rule states that L21 Heusler compounds with 24 valence electrons do never exhibit a total spin magnetic moment. In case of strongly localized magnetic moments at one of the atoms (here Mn) they will exhibit a fully compensated half-metallic ferrimagnetic state instead, in particular, when symmetry does not allow for antiferromagnetic order. With aid of magnetic and anomalous Hall effect measurements it is experimentally demonstrated that Mn1.5V0.5FeAl follows such a scenario. The ferrimagnetic state is tuned by the composition. A small residual magnetization, that arises due to a slight mismatch of the magnetic moments in the different sublattices results in a pronounced …