No Arabic abstract
Magnetic exchange interactions (MEIs) define networks of coupled magnetic moments and lead to a surprisingly rich variety of their magnetic properties. Typically MEIs can be estimated by fitting experimental results. But how many MEIs need to be included in the fitting process for a material is not clear a priori, which limits the quality of results obtained by these conventional methods. In this paper, based on linear spin-wave theory but without performing matrix diagonalization, we show that for a general quadratic spin Hamiltonian, there is a simple relation between the Fourier transform of MEIs and the sum of square of magnon energies (SSME). We further show that according to the real-space distance range within which MEIs are considered relevant, one can obtain the corresponding relationships between SSME in momentum space. We also develop a theoretical tool for tabulating the rule about SSME. By directly utilizing these characteristics and the experimental magnon energies at only a few high-symmetry k points in the Brillouin zone, one can obtain strong constraints about the range of exchange path beyond which MEIs can be safely neglected. Our methodology is also general applicable for other Hamiltonian with quadratic Fermi or Boson operators.
Recently topological aspects of magnon band structure have attracted much interest, and especially, the Dirac magnons in Cu3TeO6 have been observed experimentally. In this work, we calculate the magnetic exchange interactions Js using the first-principles linear-response approach and find that these Js are short-range and negligible for the Cu-Cu atomic pair apart by longer than 7 Angstrom. Moreover there are only 5 sizable magnetic exchange interactions, and according to their signs and strengths, modest magnetic frustration is expected. Based on the obtained magnetic exchange couplings, we successfully reproduce the experimental spin-wave dispersions. The calculated neutron scattering cross section also agrees very well with the experiments. We also calculate Dzyaloshinskii-Moriya interactions (DMIs) and estimate the canting angle (about 1.3{deg}) of the magnetic non-collinearity based on the competition between DMIs and Js, which is consistent with the experiment. The small canting angle agrees with that the current experiments cannot distinguish the DMI induced nodal line from a Dirac point in the spin-wave spectrum. Finally we analytically prove that the sum rule conjectured in [Nat. Phys. 14, 1011 (2018)] holds but only up to the 11th nearest neighbour.
We experimentally measure the band dispersions of topological Dirac semimetal Na3Bi using Fourier-transform scanning tunneling spectroscopy to image quasiparticle interference on the (001) surface of molecular-beam epitaxy-grown Na3Bi thin films. We find that the velocities for the lowest-lying conduction and valencebands are 1.6x10^6 m/s and 4.2x10^5 m/s respectively, significantly higher than previous theoreticalpredictions. We compare the experimental band dispersions to the theoretical band structures calculated usingan increasing hierarchy of approximations of self-energy corrections due to interactions: generalized gradientapproximation (GGA), meta-GGA, Heyd-Scuseria-Ernzerhof exchange-correlation functional (HSE06), and GW methods. We find that density functional theory methods generally underestimate the electron velocities. However, we find significantly improved agreement with an increasingly sophisticated description of the exchange and interaction potential, culminating in reasonable agreement with experiments obtained by the GW method. The results indicate that exchange-correlation effects are important in determining the electronicstructure of this Na3Bi, and are likely the origin of the high velocity. The electron velocity is consistent withrecent experiments on ultrathin Na3Bi and also may explain the ultrahigh carrier mobility observed in heavilyelectron-doped Na3Bi.
This study examines the magnetic interactions between spatially-variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic populations for the determination of the electronic and magnetic properties of the system. To explore the super-exchange coupling between the transition-metal atoms, we establish the magnetic magnetic ground states through a comparison of multiple magnetic and spatial configurations. Through an analysis of the electronic and magnetic properties, we conclude that the presence of transition-metal atoms can induce a distinct magnetic moment in the surrounding carbon atoms as well as produce an RKKY-like super-exchange coupling. It hoped that these simulations can lead to the realization of spintronic applications in graphene through electronic control of the magnetic clusters.
The interfaces between two condensed phases often exhibit emergent physical properties that can lead to new physics and novel device applications, and are the subject of intense study in many disciplines. We here apply novel experimental and theoretical techniques to the characterization of one such interesting interface system: the two-dimensional electron gas (2DEG) formed in multilayers consisting of SrTiO$_3$ (STO) and GdTiO$_3$ (GTO). This system has been the subject of multiple studies recently and shown to exhibit very high carrier charge densities and ferromagnetic effects, among other intriguing properties. We have studied a 2DEG-forming multilayer of the form [6 unit cells STO/3 unit cells of GTO]$_{20}$ using a unique array of photoemission techniques including soft and hard x-ray excitation, soft x-ray angle-resolved photoemission, core-level spectroscopy, resonant excitation, and standing-wave effects, as well as theoretical calculations of the electronic structure at several levels and of the actual photoemission process. Standing-wave measurements below and above a strong resonance have been introduced as a powerful method for studying the 2DEG depth distribution. We have thus characterized the spatial and momentum properties of this 2DEG with unprecedented detail, determining via depth-distribution measurements that it is spread throughout the 6 u.c. layer of STO, and measuring the momentum dispersion of its states. The experimental results are supported in several ways by theory, leading to a much more complete picture of the nature of this 2DEG, and suggesting that oxygen vacancies are not the origin of it. Similar multi-technique photoemission studies of such states at buried interfaces, combined with comparable theory, will be a very fruitful future approach for exploring and modifying the fascinating world of buried-interface physics and chemistry.
We use two recently proposed methods to calculate exactly the spectrum of two spin-${1over 2}$ charge carriers moving in a ferromagnetic background, at zero temperature, for three types of models. By comparing the low-energy states in both the one-carrier and the two-carrier sectors, we analyze whether complex models with multiple sublattices can be accurately described by simpler Hamiltonians, such as one-band models. We find that while this is possible in the one-particle sector, the magnon-mediated interactions which are key to properly describe the two-carrier states of the complex model are not reproduced by the simpler models. We argue that this is true not just for ferromagnetic, but also for antiferromagnetic backgrounds. Our results question the ability of simple one-band models to accurately describe the low-energy physics of cuprate layers.