Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Dirac”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Band structures and Z 2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy elements, such as the transition-metal dichalcogenides (TMDs), relativistic effects must be taken into account in first-principles calculations. We present an all-electron method based on the four-component Dirac Hamiltonian and Gaussian-type orbitals (GTOs) that overcomes complications associated with linear dependencies and ill-conditioned matrices that arise when diffuse functions are included in the basis. Until now, there has been no systematic study of the convergence of GTO basis sets for periodic solids either at the nonrelativistic or the relativistic level. Here, in this study, we provide such a study of relativistic band structures of the 2D TMDs in the hexagonal (2H), tetragonal (1T), and distorted tetragonal (1T') structures, along with a discussion of their SOC-driven properties (Rashba splitting and Z 2 topological invariants). We demonstrate the viability of our approach even when large basis sets with multiple basis functions involving various valence orbitals (denoted triple- and quadruple-ζ) are used in the relativistic regime. Our method does not require the use of pseudopotentials and provides access to all electronic states within the same framework. Our study paves the way for direct studies of material properties, such as the parameters in spin Hamiltonians, that depend heavily on the electron density near atomic nuclei where relativistic and SOC effects are the strongest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Orbital Ingredients and Persistent Dirac Surface State for the Topological Band Structure in FeTe 0.55 Se 0.45

FeTe 0.55 Se 0.45 (FTS) occupies a special spot in modern condensed matter physics at the intersections of electron correlation, topology, and unconventional superconductivity. The bulk electronic structure of FTS is predicted to be topologically nontrivial due to the band inversion between the d x z and p z bands along Γ − Z . However, there remain debates in both the authenticity of the Dirac surface states (DSSs) and the experimental deviations of band structure from the theoretical band inversion picture. Here we resolve these debates through a comprehensive angle-resolved photoemission spectroscopy investigation. We first observe a persistent DSS independent of k z . Then, by comparing FTS with FeSe, which has no band inversion along Γ − Z , we identify the spectral weight fingerprint of both the presence of the p z band and the inversion between the d x z and p z bands. Furthermore, we propose a renormalization scheme for the band structure under the framework of a tight-binding model preserving crystal symmetry. Our results highlight the significant influence of correlation on modifying the band structure and make a strong case for the existence of topological band structure in this unconventional superconductor. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Thermal WIMPs and the scale of new physics: global fits of Dirac dark matter effective field theories

We assess the status of a wide class of WIMP dark matter (DM) models in light of the latest experimental results using the global fitting framework GAMBIT. We perform a global analysis of effective field theory (EFT) operators describing the interactions between a gauge-singlet Dirac fermion and the Standard Model quarks, the gluons and the photon. In this bottom-up approach, we simultaneously vary the coefficients of 14 such operators up to dimension 7, along with the DM mass, the scale of new physics and several nuisance parameters. Our likelihood functions include the latest data from Planck, direct and indirect detection experiments, and the LHC. For DM masses below 100 GeV, we find that it is impossible to satisfy all constraints simultaneously while maintaining EFT validity at LHC energies. For new physics scales around 1 TeV, our results are influenced by several small excesses in the LHC data and depend on the prescription that we adopt to ensure EFT validity. Furthermore, we find large regions of viable parameter space where the EFT is valid and the relic density can be reproduced, implying that WIMPs can still account for the DM of the universe while being consistent with the latest data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Light $$Z^\prime $$ and Dirac fermion dark matter in the $$B-L$$ model

Abstract We consider a $$U(1)_{B-L}$$ U ( 1 ) B - L model with a $$Z^\prime $$ Z ′ portal Dirac fermion dark matter (DM) $$\chi $$ χ of low mass which couples very weakly to the $$B - L$$ B - L gauge boson $$Z^\prime $$ Z ′ . An arbitrary $$B-L$$ B - L charge $$Q\ne \pm 1, \pm 3$$ Q ≠ ± 1 , ± 3 of the DM $$\chi $$ χ ensures its stability. Motivated by the sensitivity reach of forthcoming “Lifetime Frontier” experiments, we focus on the $$Z^\prime $$ Z ′ mass, $$m_{Z^\prime }$$ m Z ′ , in the sub-GeV to few GeV range. To evaluate the DM relic abundance, we examine both the freeze-out and freeze-in DM scenarios. For the freeze-out scenario, we show that the observed DM abundance is reproduced near the $$Z^\prime $$ Z ′ resonance, $$m_\chi \simeq m_{Z^\prime }/2$$ m χ ≃ m Z ′ / 2 , where $$m_\chi $$ m χ is the DM mass. For the freeze-in scenario, we focus on $$m_\chi \ll m_{Z^\prime }$$ m χ ≪ m Z ′ . We show that for a fixed value of $$m_{Z^\prime }$$ m Z ′ , $$g_{BL}$$ g BL values roughly scale as 1/ Q to reproduce the observed DM abundance. For various Q values in the range between $$10^{-6}$$ 10 - 6 and $$10^2$$ 10 2 , we show that the gauge coupling values $$g_{BL}$$ g BL needed to reproduce the observed DM abundance lie in the search reach of future planned and/or proposed experiments such as FASER, Belle-II, LDMX, and SHiP. In the freeze-in case, the Q values to realize observable $$g_{BL}$$ g BL values are found to be much smaller than that in the freeze-out case.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Hall effect for Dirac electrons in graphene exposed to an Abrikosov flux lattice

The proposals for realizing exotic particles through coupling of quantum Hall effect to superconductivity involve spatially non-uniform magnetic fields. As a step toward that goal, we study, both theoretically and experimentally, a system of Dirac electrons exposed to an Abrikosov flux lattice. Here, we theoretically find that the non-uniform magnetic field causes a carrier-density-dependent reduction of the Hall conductivity. Our studies show that this reduction originates from a rather subtle effect: a levitation of the Berry curvature within Landau levels broadened by the non-uniform magnetic field. Experimentally, we measure the magneto-transport in a monolayer graphene-hexagonal boron nitride-niobium diselenide (NbSe 2 ) heterostructure, and find a density-dependent reduction of the Hall resistivity of graphene as the temperature is lowered from above the superconducting critical temperature of NbSe 2 , when the magnetic field is uniform, to below, where the magnetic field bunches into an Abrikosov flux lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Topological Surface and Bulk States in Dirac Semimetal Alpha-Sn Thin Films

Supported by this DOE grant, we made significant advancements in the study and application of topological surface states (TSS) in topological Dirac semimetal (TDS) α-Sn thin films. Our key findings include: (1) the successful growth of TDS α-Sn thin films via sputtering, an industry-friendly technique, on Si and InSb substrates, marking a breakthrough over previous molecular beam epitaxy methods, (2) the demonstration of enhanced damping in adjacent NiFe thin films due to the TSS of α-Sn, (3) the first observation of a strong bilinear magneto-electric resistance (BMER) effect in TDS materials at room temperature, with responses surpassing previous results, (4) the identification of quantum oscillations in α-Sn thin films associated with the TSS, revealing critical quantum transport characteristics such as Berry phase and quantum mobility, (5) the first experimental observation of negative magnetoresistance in α-Sn, and (6) the demonstration of spinorbit torque-driven, field-free magnetization switching in an α-Sn/Ag/CoFeB trilayer, achieving efficiency levels higher than conventional heavy-metal-based structures, highlighting the essential role of TSS in enabling the switching process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Epitaxial Integration of Dirac Semimetals with Si(001)

Topological semimetals contain novel combinations of properties that make them useful in a variety of applications, including optoelectronics, spintronics and low energy computing, and catalysis. Although they have been grown with high quality as bulk single crystals, incorporation with semiconductor substrates will ultimately be required to maximize their technological reach. Here, epitaxial growth of the Dirac semimetal Cd3As2 on Si(001) is demonstrated through two routes. First, Cd3As2(112) epilayers are grown on Si(001) via an intermediate CdTe(111) buffer layer. Second, Cd3As2(112) is grown directly on Si(001). This work sets the foundation for integration of novel semimetal materials with existing CMOS technology.

36 MATERIALS SCIENCE↗
NASA NTRS1972

On the Poincare noninvariance of a recent alternative to the Dirac equation.

Explicit construction of the infinitesimal generators of the Poincare group, demonstrating that the algebra of commutators closes only for the case of zero mass. Hence, the so-called Stigma equation proposed by Biedenharn et al. (1971) as an alternative to the Dirac equation (1928) for spin one-half, finite mass particles is not Poincare invariant except when the leptonic mass is zero.

Madan, R. N.↗
NASA NTRS1977

Geometrization of the Dirac theory of the electron

Using the concept of parallel displacement of a half vector, the Dirac equations are generally written in invariant form. The energy tensor is formed and both the macroscopic and quantum mechanic equations of motion are set up. The former have the usual form: divergence of the energy tensor equals the Lorentz force and the latter are essentially identical with those of the geodesic line.

Fock, V.↗
NASA NTRS1983

Statistical mechanics of light elements at high pressure. V Three-dimensional Thomas-Fermi-Dirac theory

A numerical technique for solving the Thomas-Fermi-Dirac (TED) equation in three dimensions, for an array of ions obeying periodic boundary conditions, is presented. The technique is then used to calculate deviations from ideal mixing for an alloy of hydrogen and helium at zero temperature and high presures. Results are compared with alternative models which apply perturbation theory to calculation of the electron distribution, based upon the assumption of weak response of the electron gas to the ions. The TFD theory, which permits strong electron response, always predicts smaller deviations from ideal mixing than would be predicted by perturbation theory. The results indicate that predicted phase separation curves for hydrogen-helium alloys under conditions prevailing in the metallic zones of Jupiter and Saturn are very model dependent.

Macfarlane, J. J.↗
NASA NTRS1984

Statistical mechanics of light elements at high pressure. VI - Liquid-state calculations with Thomas-Fermi-Dirac theory

A model free energy is developed for hydrogen-helium mixtures based on solid-state Thomas-Fermi-Dirac calculations at pressures relevant to the interiors of giant planets. Using a model potential similar to that for a two-component plasma, effective charges for the nuclei (which are in general smaller than the actual charges because of screening effects) are parameterized, being constrained by calculations at a number of densities, compositions, and lattice structures. These model potentials are then used to compute the equilibrium properties of H-He fluids using a charged hard-sphere model. The results find critical temperatures of about 0 K, 500 K, and 1500 K, for pressures of 10, 100, and 1000 Mbar, respectively. These phase separation temperatures are considerably lower (approximately 6,000-10,000 K) than those found from calculations using free electron perturbation theory, and suggest that H-He solutions should be stable against phase separation in the metallic zones of Jupiter and Saturn.

Macfarlane, J. J.↗