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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Optical conductivity of multi-Weyl node semimetals due to electromagnetic and axial pseudogauge fields

Here, we compute the optical conductivity of a multi-Weyl semimetal in the presence of electromagnetic and axial fields. In the first part of the paper we use a U(1) gauge field to compute the current of a multi-Weyl semimetal. The current is used in the computation of the optical conductivity within the Kubo-Matsubara formalism. We consider a multi-Weyl semimetal with two nodal points in the z-direction. The multi-Weyl semimetal has a width D in the transverse direction which is smaller than the length L in the longitudinal direction. Due to the width D we replace the model by a sum of transverse modes in 1+1 dimensions. We then regularize the model in 1+1 dimensions. The nodal points are responsible for a constant axial field and a static anomalous Hall effect. In the second part we study the effect of dynamic axial fields. An elastic deformation couples to the two electronic chiralities, and represents the axial pseudogauge field $\vec{a}$ 5 . As a consequence, the system is excited by two kinds of field, the electromagnetic one and the axial srain field. For a Weyl system this is represented by the triangle diagram, which is responsible for the anomalous Hall effect. We can obtain the anomalous Hall effect also by a chiral transformation in 1+1 dimensions using regularization. The chiral transformation modifies the path integration measure and is the source of the induced anomalous Hall effect. The latter is controlled by a combination of strain waves and electromagnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Magneto-optical conductivity of anisotropic two-dimensional Dirac–Weyl materials

In the presence of an external magnetic field, the optical response of two-dimensional materials, whose charge carriers behave as massless Dirac fermions with arbitrary anisotropic Fermi velocity, is investigated. Using Kubo formalism, we obtain the magneto-optical conductivity tensor for these materials, which allows to address the magneto-optical response of anisotropic Dirac fermions from the well known magneto-optical conductivity of isotropic Dirac fermions. As an application, we analyse the combined effects of strain-induced anisotropy and magnetic field on the transmittance, as well as on the Faraday rotation, of linearly polarized light after passing strained graphene. The reported analytical expressions can be a useful tool to predict the absorption and the Faraday angle of strained graphene under magnetic field. Finally, our study is extended to anisotropic two-dimensional materials with Dirac fermions of arbitrary pseudospin. - Highlights: • The magneto-optical response of anisotropic massless Dirac fermions is investigated. • The conductivity tensor is obtained from the Kubo formula. • We study effects of strain and magnetic field on the light absorption of graphene. • The Faraday rotation in strained graphene is analytically determined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Optical conductivity of metal alloys with residual resistivities near or above the Mott-Ioffe-Regel limit

Most interesting examples of violations of the Mott-Ioffe-Regel (MIR) resistivity limit are found in materials with strong electronic correlations that are not well understood by theory. We demonstrate that first principles theory can predict the experimentally-observed frequency dependence of the optical conductivity for a novel class of metals where the residual resistivity is near or above the MIR limit, which we define as a "bad metal". The predicted optical conductivity of a NiCoCr alloy is in good agreement with experiment. It is demonstrated that the width of the Drude peak describing the low frequency part of optical conductivity is comparable to the Fermi energy. The latter, together with a mean free path comparable to the interatomic distance, indicates the absence of well-defined quasiparticles. In contrast to traditional bad meals with strong electron-electron interactions, both the high resistivity and the large width of the Drude peak in these alloys results from strong scattering on disordered atomic potentials that can be understood using modern density functionals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Optical conductivity of nodal metals

Fermi liquid theory is remarkably successful in describing the transport and optical properties of metals; at frequencies higher than the scattering rate, the optical conductivity adopts the well-known power law behavior $σ_1(ω) ∝ ω^{–2}$. We have observed an unusual non-Fermi liquid response $σ_1(ω) ∝ ω^{–1±0.2}$ in the ground states of several cuprate and iron-based materials which undergo electronic or magnetic phase transitions resulting in dramatically reduced or nodal Fermi surfaces. The identification of an inverse (or fractional) power-law behavior in the residual optical conductivity now permits the removal of this contribution, revealing the direct transitions across the gap and allowing the nature of the electron-boson coupling to be probed. The non-Fermi liquid behavior in these systems may be the result of a common Fermi surface topology of Dirac cone-like features in the electronic dispersion.

36 MATERIALS SCIENCE↗
DOE OSTI2023

One-dimensionality signature in optical conductivity of heavy-fermion CeIr 3 B 2

In low dimensions, the combined effects of interactions and quantum fluctuations can lead to dramatically new physics distinct from that existing in higher dimensions. Here, we investigate the electronic and optical properties of CeIr 3 ⁢B 2 , a quasione-dimensional (1D) Kondo lattice system, using ab initio calculations. The Ce atoms in the hexagonal crystal structure form 1D chains along the c axis, with extremely short Ce-Ce distances. The quasi-1D nature of the crystal structure is well reflected in its electronic structure. Extremely flat bands emerge within the ab plane of the Brillouin zone, yielding sharp optical transitions in the corresponding optical conductivity. Further, our calculations indicate that these prominent peaks in the optical conductivity provide a clear signature of quasi-1D heavy fermion systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Electron-phonon coupling in the undoped cuprate YBa 2 Cu 3 O 6 estimated from Raman and optical conductivity spectra

We study experimentally the Raman response of the undoped high-T c parent compound YBa 2 Cu 3 O 6 , and give a unified theory of the two-magnon Raman peak and optical conductivity based on the Hubbard-Holstein model with electron-phonon coupling (EPC). The Hubbard model without EPC can qualitatively account for the experimentally observed resonance of the Raman response, but only the Hubbard-Holstein model (i) reproduces the asymmetry of the Raman spectrum, (ii) validates the experimental visibility of the two-magnon peak, and (iii) predicts the correct shape and energy of the lower edge of the charge transfer gap in optical conductivity. A comparison of experiments with the theory gives the EPC strength λ = 0.6. Here, this result convincingly indicates the vital role of EPC in high-T c cuprates, providing a clue to the mechanism of high T c .

2-dimensional systems↗
DOE OSTI2017

Optical conductivity of multi-Weyl semimetals

Multi-Weyl semimetals are new types of Weyl semimetals which have anisotropic nonlinear energy dispersion and a topological charge larger than one, thus exhibiting a unique quantum response. Using a unified lattice model, we calculate the optical conductivity numerically in the multi-Weyl semimetal phase and in its neighboring gapped states, and obtain the characteristic frequency dependence of each phase analytically using a low-energy continuum model. The frequency dependence of longitudinal and transverse optical conductivities obeys scaling relations that are derived from the winding number of the parent multi-Weyl semimetal phase and can be used to distinguish these electronic states of matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Optical conductivity study of mixed-valent quasi-one-dimensional CeIr 3 ⁢B 2

Here, we present a combined theoretical and experimental study on the optical conductivity of CeIr 3 ⁢B 2 , where quasi-one-dimensional Ce chains form along the 𝑐 axis of the monoclinic crystal. Significant hybridization-induced features are observed along the Ce chains by broadband infrared spectroscopy, demonstrating mixed-valent behavior over a wide range of temperatures (6–300 K) and energies (up to 0.8 eV). The ferromagnetic transition at 41 K had no noticeable influence on the temperature evolution of the optical conductivity. A comparison with density functional theory plus dynamic mean-field theory calculations demonstrates the quasi-one-dimensional nature of CeIr 3 ⁢B 2 and the local character of the interactions responsible for the electronic renormalization. Furthermore, we demonstrate how the spectroscopic signatures of this mixed-valent compound are captured by theory, providing a clear distinction from the response expected in the integer-valent Kondo regime.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Signatures of van Hove singularities in the anisotropic in-plane optical conductivity of the topological semimetal Nb 3 ⁢SiTe 6

In this work, we present a temperature-dependent infrared spectroscopy study on the layered topological semimetal Nb 3 ⁢SiTe 6 combined with density-functional theory calculations of the electronic band structure and optical conductivity. Our results reveal an anisotropic behavior of the in-plane (ac-plane) optical conductivity, with three pronounced excitations located at around 0.15, 0.28, and 0.41 eV for the polarization of the incident radiation along the c axis. These excitations are well reproduced in the theoretical spectra. Based on the ab initio results, the excitations around 0.15 and 0.28 eV are interpreted as fingerprints of van Hove singularities in the electronic band structure and compared to the findings for other topological semimetals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optical conductivity of Ni{sub 1−x}Pt{sub x} alloys (0<x<0.25) from 0.76 to 6.6 eV

Using spectroscopic ellipsometry and Drude-Lorentz oscillator fitting, we determined the dielectric function and optical conductivity versus photon energy from 0.76 to 6.6 eV of 10 nm thick Ni{sub 1−x}Pt{sub x} alloy (0<x<0.25) films deposited on thick thermal oxides. We find absorption peaks near 1.6 and 5.0 eV due to interband optical transitions. There is a significant broadening of the UV peak with increasing Pt content, since the bandwidth of the 3d electrons in Ni is smaller than that of the 5d bands in Pt. Our experimental observation is consistent with ab initio calculations of the density of states for Ni, Pt, and the Ni{sub 3}Pt compound. Annealing the metals at 500°C for 30 s increases the optical conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A generalization of the Drude-Smith formula for magneto-optical conductivities in Faraday geometry

In this study, we generalize the impulse response approach and Poisson statistics proposed by Smith [Phys. Rev. B 64, 155106 (2001)] to evaluate the longitudinal and transverse magneto-optical conductivities in an electron gas system in Faraday geometry. Comparing with the standard Drude model, the coefficients a{sub n} are introduced in the Drude-Smith formula to describe the backscattering or localization effect for the nth electronic scattering event. Such a formula can also be applied to study the elements of the dielectric function matrix in the presence of magnetic and radiation fields in electron gas systems. This theoretical work is primely motivated by recent experimental activities in measuring the real and imaginary parts of longitudinal and transverse magneto-optical conductivities in condensed matter materials and electronic devices using terahertz time-domain spectroscopy. We believe that the results obtained from this study can provide an appropriate theoretical tool in reproducing the experimental findings and in fitting with experimental data to determine the important sample and material parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Optical conductivity and vibrational spectra of the narrow-gap semiconductor FeGa 3

Intermetallic narrow-gap semiconductors have been intensively explored due to their large thermoelectric power at low temperatures and a possible role of strong electronic correlations in their unusual thermodynamic and transport properties. Here we study the optical spectra and vibrational properties of FeGa 3 . The optical conductivity indicates that FeGa 3 has a direct band gap of ≈ 0.7 eV, consistent with density functional theory (DFT) calculations. Most importantly, we find a substantial spectral weight also below 0.4 eV, which is the energy of the indirect (charge) gap found in resistivity measurements and ab initio calculations. We find that the spectral weight below the gap decreases with increasing temperature, which indicates that it originates from the impurity states and not from the electronic correlations. Interestingly, we did not find any signatures of the impurity states in vibrational spectra. The infrared and Raman vibrational lines are narrow and weakly temperature dependent. The vibrational frequencies are in excellent agreement with our DFT calculations, implying a modest role of electronic correlations. Narrow Mössbauer spectral lines also indicate high crystallinity of the sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Optical conductivity of topological insulator thin films

We present a detailed theoretical study on the optoelectronic properties of topological insulator thin film (TITFs). The k·p approach is employed to calculate the energy spectra and wave functions for both the bulk and surface states in the TITF. With these obtained results, the optical conductivities induced by different electronic transitions among the bulk and surface states are evaluated using the energy-balance equation derived from the Boltzmann equation. We find that for Bi{sub 2}Se{sub 3}-based TITFs, three characteristic regimes for the optical absorption can be observed. (i) In the low radiation frequency regime (photon energy ℏω<200 meV), the free-carrier absorption takes place due to intraband electronic transitions. An optical absorption window can be observed. (ii) In the intermediate radiation frequency regime (200<ℏω<300 meV), the optical absorption is induced mainly by interband electronic transitions from surface states in the valance band to surface states in the conduction band and an universal value σ{sub 0}=e{sup 2}/(8ℏ) for the optical conductivity can be obtained. (iii) In the high radiation frequency regime (ℏω>300 meV), the optical absorption can be achieved via interband electronic transitions from bulk and surface states in the valance band to bulk and surface states in the conduction band. A strong absorption peak can be observed. These interesting findings indicate that optical measurements can be applied to identify the energy regimes of bulk and surface states in the TITF.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Optical conductivity of partially oxidized graphene from first principles

We investigate the geometry, electronic structure, and optical properties of partially oxidized graphene using density functional theory. Our calculations show that oxygen atoms are chemisorbed on graphene plane and distort carbon atoms vertically, with almost no change in the in-plane structure. The ground state configurations for different oxygen coverages ranging from 2% to 50% (O/C ratio) are calculated and show the strong tendency of oxygen adatoms to aggregate and form discrete islands on graphene plane. It is found that the opened band gap due to oxygen functionalization depends on the oxygen density and the adsorption configuration. The gap is not significant for oxygen densities lower than 8%. The optical conductivities are calculated in the infrared, visible, and ultraviolet regions and show different characteristic features depending on the degree of oxidation. These results imply that optical measurement techniques can be employed to monitor oxidation (or reduction) process as contact-free methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

Intraband optical conductivity sigma/omega,T/ of Cu, Ag, and Au - Contribution from electron-electron scattering

The frequency and temperature dependence of the intraband optical conductivity of the noble metals Cu, Ag and Au is measured and contributions of electron-electron scattering are assessed. Optical measurements were performed at temperatures of 77, 295 and 425 K to obtain values of the Drude electron scattering rate with a linear dependence on temperature which may be attributed to electron-phonon scattering, and a quadratic dependence on photon energy, which is suggestive of electron-electron scattering but is a factor of two to three times greater than would be expected. Comparison of the optical data with dc electrical and thermal resistivity data which also show behavior attributed to electron-electron scattering reveals discrepancies of up to an order of magnitude. Other possible mechanisms for the frequency dependence, including absorptance, electron-surface plasmon interactions, a two-carrier model, and a structure dependence are considered, and it is concluded that the frequency dependence in the Drude scattering rates of the noble metals is not yet quantitatively understood

Parkins, G. R.↗
DOE OSTI2016

Transport and optical conductivity in the Hubbard model: A high-temperature expansion perspective

We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension d as well as the infinite- d limit, arbitrary electron density n, and both finite and infinite repulsion U. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large U, they are featureless with characteristic widths of the order of the lattice hopping parameter t. In the infinite-d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for T≳ (1 - n)D, the Brinkman-Rice scale. The resistivity increases linearly in T at high temperature without saturation. This results from the 1/T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high T. We find that σ( n,T) ≈ (1 - n)σ(n = 0,T) to a very good approximation for all n, with σ(n = 0,T) ∝ t/T at high temperatures. The saturation at small n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing T. At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1/T 2 . The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic correlations or ultracold atomic gases in an optical lattice is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Characterization of two electronic subsystems in cuprates through optical conductivity

Understanding the physical properties of unconventional superconductors as well as of other correlated materials presents a formidable challenge. Their unusual evolution with doping, frequency, and temperature has frequently led to non-Fermi-liquid (non-FL) interpretations. Optical conductivity is a major challenge in this context. Here, the optical spectra of two archetypal cuprates, underdoped HgBa 2 CuO 4+δ and optimally doped Bi 2 Sr 2 CaCu 2 O 8+δ , are interpreted based on the standard Fermi-liquid (FL) paradigm. At both dopings, perfect frequency-temperature FL scaling is found to be modified by the presence of a second, gapped electronic subsystem. Further, this non-FL component emerges as a well-defined mid-infrared spectral feature after the FL contribution, determined independently by transport, is subtracted. Temperature, frequency, and doping evolution of the MIR feature identify a gapped rather than dissipative response. In contrast, the dissipative response is found to be relevant for pnictides and ruthenates. Such an unbiased FL/non-FL separation is extended across the cuprate phase diagram, capturing all the key features of the normal state and providing a natural explanation why the superfluid density is attenuated on the overdoped side. Thus, we obtain a unified interpretation of optical responses and transport measurements in all analyzed physical regimes and all analyzed compounds.

36 MATERIALS SCIENCE↗