Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder
Explore the source record for details and available documents.
charge transport↗
SEARCH · Search NASA
Results for “FERMI INTERACTIONS”
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.
Chiral spin liquid with spinon Fermi surfaces in the spin-$\frac{1}{2}$ triangular Heisenberg model
Here, we study the interplay of competing interactions in spin-$\frac{1}{2}$ triangular Heisenberg model through tuning the first- ($J_1$), second- ($J_2$), and third-neighbor ($J_ 3$) couplings. Based on a large-scale density-matrix renormalization group calculation, we identify a quantum phase diagram of the system and discover a gapless chiral spin-liquid (CSL) phase in the intermediate $J_2$ and $J_ 3$ regime. This CSL state spontaneously breaks time-reversal symmetry with finite scalar chiral order, and it has gapless excitations implied by a vanishing spin triplet gap and a finite central charge on the cylinder. Moreover, the central charge grows rapidly with the cylinder circumference, indicating emergent spinon Fermi surfaces. To understand the numerical results we propose a parton mean-field spin-liquid state, the U (1) staggered flux state, which breaks time-reversal symmetry with chiral edge modes by adding a Chern insulator mass to Dirac spinons in the U (1) Dirac spin liquid. This state also breaks lattice rotational symmetries and possesses two spinon Fermi surfaces driven by nonzero $J_2$ and $J_3$, which naturally explains the numerical results. This realizes an example of a gapless CSL state with coexisting spinon Fermi surfaces and chiral edge states, demonstrating the rich family of interesting quantum phases emergent from competing interactions in triangular-lattice magnets.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport
The lattice thermal conductivity, k L , of typical metallic and nonmetallic crystals decreases rapidly with increasing temperature because phonons interact more strongly with other phonons than they do with electrons. Using first principles calculations, we show that k L can become nearly independent of temperature in metals that have nested Fermi surfaces and large frequency gaps between acoustic and optic phonons. Then, the interactions between phonons and electrons become much stronger than the mutual interactions between phonons, giving the fundamentally different k L behavior. This striking trend is revealed here in the group V transition metal carbides, vanadium carbide, niobium carbide, and tantalum carbide, and it should also occur in several other metal compounds. As a result, this work gives insights into the physics of heat conduction in solids and identifies a new heat flow regime driven by the interplay between Fermi surfaces and phonon dispersions.
36 MATERIALS SCIENCE↗
Velocity-space compression from Fermi acceleration with Lorentz scattering
The Fermi acceleration model describes how cosmic ray particles accelerate to great speeds by interacting with moving magnetic fields. In this work, we identify a variation of the model where light ions interact with a moving wall while undergoing pitch angle scattering through Coulomb collisions due to the presence of a heavier ionic species. The collisions introduce a stochastic component which adds complexity to the particle acceleration profile and sets it apart from collisionless Fermi acceleration models. The unusual effect captured by this simplified variation of Fermi acceleration is the nonconservation of phase space, with the possibility for a distribution of particles initially monotonically decreasing in energy to exhibit an energy peak upon compression. A peaked energy distribution might have interesting applications, such as to optimize fusion reactivity or to characterize astrophysical phenomena that exhibit nonthermal features.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Simultaneous enhancements of thermopower and electrical conductivity in quasi-one-dimensional α -YbAlB 4 single crystal
We report the thermoelectric properties of valence fluctuating material α-YbAlB 4 along a-, b-, and c-axes. The temperature dependence of the Seebeck coefficient for all axes shows negative peaks at around 250 K, which is close to the Kondo scale. Interestingly, the absolute value of the Seebeck coefficient along c-axis (-7 μV K -1 at 250 K) is larger than those along a- and b-axes (-50 μV K -1 at 250 K) although the electrical resistivity along c-axis is about four times lower than those along a- and b-axes. As a result, a very large thermoelectric power factor of ~14.5 mW m -1 K -2 is realized along c-axis at 200 K, which is ten times larger than those along a- and b-axes. The anisotropies in electrical resistivity and Seebeck coefficient, respectively, have different origins of Fermi surface and the c-f hybridization, realizing the simultaneous enhancements of thermopower and electrical conductivity.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Ultrafast enhancement of electron-phonon coupling via dynamic quantum well states
Abstract The density of states at the Fermi surface controls many material properties by influencing the low-energy interactions of conductive electrons. Typically, external tuning knobs generate only small perturbations to the density of states in crystals, since their band structure depends strongly on the lattice potential. In contrast, quantum well states are contingent on a localized potential extrinsic to the crystal lattice and can be easily modified leading to changes in the density of states at the Fermi level. Here, we are able to control the quantum well potential on the surface of Bi 2 Se 3 with light, driving a density of states singularity below E F at ultrafast timescales, thereby triggering a reversible Lifshitz transition. We reveal a substantial ultrafast enhancement of the electron-phonon coupling with repercussions on the relaxation dynamics in the system. We argue that the relaxation dynamics are governed largely by the interplay of the dynamic density of states of the quantum wells with c -axis scattering from the $${A}_{{{{{{{{\rm{1g}}}}}}}}}^{2}$$ A 1g 2 optical phonon mode. These results demonstrate a powerful way to enhance electron-boson interaction on ultrafast timescales providing new avenues for controlling material properties and driving novel quantum phases of matter.
Ciocys, Samuel T.↗
Magnetically induced enhancement of reversibly responding conductometric sensors
Small magnetic fields are found to greatly enhance the reversible room temperature conductometric responses of n and p- type porous silicon (PS) interfaces, treated with nanostructured island sites containing paramagnetic Co(II) and Fe(II). At concentrations sufficiently low so as to avoid cross talk between the nanostructured island sites, the response to NO concentrations demonstrates the significant effect which the Co(II) and Fe(II) have on the decorated extrinsic semiconductor majority charge carriers as they direct a dominant electron transduction process for reversible electron transduction and chemical sensing (Inverse Hard and Soft acid/base principle) in the absence of significant chemical bond formation. Co(II) and Fe(II) oxide sites enhance response and provide a means for small magnetic fields to interact with and enhance the sensor interface response. For p-type systems, the interaction is with small virtually constant thermal electron populations lying above the Fermi energy at 0 K. The electron removal rate increases with magnetic field strength. At the highest magnetic fields and NO analyte concentrations the available electron population is depleted, and the response to the analyte decreases at higher concentrations. At lower magnetic fields (<1000 G), the response faithfully follows concentration. For n-type systems, the magnetic field interaction increases resistance. This increase in response may be attributed to the interaction with donor levels ∼0.025 eV below the conduction band. A substantial enhancement of sensor response relative to that for the Co(II) and Fe(II) treated PS interfaces is observed, with the introduction of a small magnetic field greatly increasing an already enhanced conductometric response.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Ternary CaCu{sub 4}P{sub 2}-type pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb)
Four ternary pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb) were prepared by reactions of the elements at 850 Degree-Sign C and their crystal structures were determined from single-crystal X-ray diffraction studies. These silver-containing pnictides AAg{sub 4}Pn{sub 2} adopt the trigonal CaCu{sub 4}P{sub 2}-type structure (Pearson symbol hR21, space group R3-bar m, Z=3; a=4.5555(6) A, c=24.041(3) A for SrAg{sub 4}As{sub 2}; a=4.5352(2) A, c=23.7221(11) A for EuAg{sub 4}As{sub 2}; a=4.7404(4) A, c=25.029(2) A for SrAg{sub 4}Sb{sub 2}; a=4.7239(3) A, c=24.689(2) A for EuAg{sub 4}Sb{sub 2}), which can be derived from the trigonal CaAl{sub 2}Si{sub 2}-type structure of the isoelectronic zinc-containing pnictides AZn{sub 2}Pn{sub 2} by insertion of additional Ag atoms into trigonal planar sites within [M{sub 2}Pn{sub 2}]{sup 2-} slabs built up of edge-sharing tetrahedra. Band structure calculations on SrAg{sub 4}As{sub 2} and SrAg{sub 4}Sb{sub 2} revealed that these charge-balanced Zintl phases actually exhibit no gap at the Fermi level and are predicted to be semimetals. - Graphical abstract: SrAg{sub 4}As{sub 2} and related pnictides adopt a CaCu{sub 4}P{sub 2}-type structure in which additional Ag atoms enter trigonal planar sites within slabs built from edge-sharing tetrahedra. Highlights: Black-Right-Pointing-Pointer AAg{sub 4}Pn{sub 2} are the first Ag-containing members of the CaCu{sub 4}P{sub 2}-type structure. Black-Right-Pointing-Pointer Ag atoms are stuffed in trigonal planar sites within CaAl{sub 2}Si{sub 2}-type slabs. Black-Right-Pointing-Pointer Ag-Ag bonding develops through attractive d{sup 10}-d{sup 10} interactions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Crystalline Order Yet Glass-Like Heat Transport Driven by Hidden Local Distortions as the Structural Origin of Ultralow Thermal Conductivity in AgErTe 2
Given their rich chemical diversity and the interplay among the p-, d-, and f-orbitals of chalcogens, transition metals, and lanthanides, respectively, rare-earth transition-metal chalcogenides exhibit a wide variety of structural, magnetic, and transport phenomena. As a result, they form a particularly appealing platform for investigating structure–property relationships, emergent electronic and magnetic behaviors, and thermal transport. Here we investigate AgErTe 2 as a model system to understand phonon-glass behavior in ordered crystalline solids, which establishes the design principles for thermal barrier coatings and next-generation thermoelectrics. The local bonding asymmetry and lattice softness suppress the inherently low lattice thermal conductivity, resembling the characteristics of amorphous materials. This suppression is significantly influenced by local off-centering of Ag atoms, which breaks lattice periodicity while maintaining global crystallinity. The presence of antibonding states just below the Fermi level, arising from Ag 4d and Te 5p orbital interactions, leads to lattice softening and destabilizes ideal tetrahedral coordination, resulting in a pseudo Jahn–Teller distortion. Furthermore, the coexistence of weaker, more polarizable Ag–Te bonds and stronger Er–Te bonds creates a complex vibrational landscape enriched with low-frequency modes and enhanced phonon scattering. A pronounced disparity in interatomic force constants gives rise to highly localized, low-energy optical phonons linked to Ag rattling. These flat vibrational modes exhibit strong coupling with transverse acoustic phonons, resulting in ultrashort phonon lifetimes and mean free paths approaching interatomic distances. These features collectively enhance phonon scattering across a broad range of length and energy scales. This work offers a framework for engineering suppressed thermal conductivity in crystalline systems without the introduction of alloying elements.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Magnetism and charge density wave order in kagome FeGe
Electron correlations often lead to emergent orders in quantum materials, and one example is the kagome lattice materials where topological states exist in the presence of strong correlations between electrons. This arises from the features of the electronic band structure that are associated with the kagome lattice geometry: flat bands induced by destructive interference of the electronic wavefunctions, topological Dirac crossings, and a pair of van Hove singularities. Various correlated electronic phases have been discovered in kagome lattice materials, including magnetism, charge density waves, nematicity, and superconductivity. Recently, a charge-density wave was discovered in the magnetic kagome FeGe, providing a platform for understanding the interplay between charge order and magnetism in kagome materials. Here, we observe all three electronic signatures of the kagome lattice in FeGe using angle-resolved photoemission spectroscopy. The presence of van Hove singularities near the Fermi level is driven by the underlying magnetic exchange splitting. Furthermore, we show spectral evidence for the charge-density wave as gaps near the Fermi level. Furthermore, our observations point to the magnetic interaction-driven band modification resulting in the formation of the charge-density wave, and indicate an intertwined connection between the emergent magnetism and charge order in this moderately-correlated kagome metal.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Electronic structure of cyclodextrin–carbon nanotube composite films
The electronic structures of two kinds of cyclodextrin–carbon nanotube (αCD–CNT and γCD–CNT) composite films are investigated by using (angular dependent) photoelectron spectroscopy to gain insight as to why the αCD–CNT and γCD–CNT composite films show different performances in biosensor applications. The γCD–CNT composite film is likely to have the CD localized on the surface rather than in the bulk of the film, while αCD–CNT has CD relatively more concentrated within the bulk of selvedge region of the film, rather than the surface. The results indicate that the CD, of the γCD–CNT composite, may be more bioactive, and possibly a better sensor of biomolecules due to the favorable surface position compared with that of αCD–CNT. The valence band of αCD–CNT and γCD–CNT show little difference from the CNT film except for a density of states, originating from CD, evident at a binding energy near 27 eV below Fermi level, meaning that there are few or no redox interactions between the CD and the CNT. The absence of a redox interaction between the CD and the CNT permits a clear electrochemical response to occur when guest biomolecules are captured on the composites, providing a route to biosensor applications.
36 MATERIALS SCIENCE↗
Spin effects on the instability and propagation modes of electrostatic plasma waves in quantum plasmas
The effects of the electron spin interaction on the pure instability and propagation modes of the quantum electrostatic waves are investigated in cold quantum electron plasmas. It is found that the influence of the electron spin interaction increases the group velocity of the propagation mode of the quantum electrostatic wave. In addition, it is shown that the electron spin interaction enhances the growth rate of the instability mode of the quantum electrostatic wave. It is also found that the effects of the electron spin interaction would be more important in the domain of small Fermi wave numbers.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods
Here, we studied the effects of self-interaction error (SIE) on the static dipole polarizabilities of water clusters modelled with three increasingly sophisticated, non-empirical density functional approximations (DFAs), viz. the local spin density approximation (LDA), the Perdew-Burke-Ernzherof (PBE) generalized-gradient approximation (GGA), and the strongly constrained and appropriately normed (SCAN) meta-GGA, using the Perdew-Zunger self-interaction-correction (PZ-SIC) energy functional in the Fermi-Lowdin orbital SIC (FLO-SIC) framework. Our results show that while all three DFAs overestimate the cluster polarizabilities, the description systematically improves from LDA to PBE to SCAN. The self-correlation free SCAN predicts polarizabilities quite accurately with a mean absolute error (MAE) of 0.58 Bohr 3 with respect to coupled cluster singles and doubles (CCSD) values. Removing SIE using PZ-SIC correctly reduces the DFA polarizabilities, but over-corrects, resulting in underestimated polarizabilities in SIC-LDA, -PBE, and -SCAN. Finally, we applied a recently proposed local-scaling SIC (LSIC) method using a quasi self-consistent scheme and using the kinetic energy density ratio as an iso-orbital indicator. The results show that the LSIC polarizabilities are in excellent agreement with mean absolute error of 0.08 Bohr 3 for LSIC-LDA and 0.06 Bohr 3 for LSIC-PBE with most recent CCSD polarizabilities. Likewise, the ionization energy estimates as an absolute of highest occupied energy eigenvalue predicted by LSIC are also in excellent agreement with CCSD(T) ionization energies with MAE of 0.4 eV for LSIC-LDA and 0.04 eV for LSIC-PBE. The LSIC-LDA predictions of ionization energies are comparable to the reported GW ionization energies while the LSIC-PBE ionization energies are more accurate than reported GW results.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Nonthermal radiation of young supernova remnants: The case of Cas A
The processes responsible for the broadband radiation of the young supernova remnant Cas A are explored by using a new code that is designed for a detailed treatment of the diffusive shock acceleration of particles in the nonlinear regime. The model is based on spherically symmetric hydrodynamic equations complemented with transport equations for relativistic particles. Electrons, protons, and the oxygen ions accelerated by forward and reverse shocks are included in the numerical calculations. We show that the available multi-wavelength observations in the radio, X-ray, and gamma-ray bands can be best explained by invoking particle acceleration by both forward and reversed shocks. Although the TeV gamma-ray observations can be interpreted by interactions of both accelerated electrons and protons/ions, the measurements by Fermi Large Area Telescope at energies below 1 GeV give a tentative preference to the hadronic origin of gamma-rays. Then, the acceleration efficiency in this source, despite the previous claims, should be very high; 25% of the explosion energy (or approximately 3 × 10{sup 50} erg) should already be converted to cosmic rays, mainly by the forward shock. At the same time, the model calculations do not provide extension of the maximum energy of accelerated protons beyond 100 TeV. In this model, the acceleration of electrons is dominated by the reverse shock; the required 10{sup 48} erg can be achieved under the assumption that the injection of electrons (positrons) is supported by the radioactive decay of {sup 44}Ti.
79 ASTRONOMY AND ASTROPHYSICS↗
'Self-absorbed' GeV light curves of gamma-ray burst afterglows
We investigate the effect that the absorption of high-energy (above 100 MeV) photons produced in gamma-ray burst afterglow shocks has on the light curves and spectra of Fermi Large Area Telescope (LAT) afterglows. Afterglows produced by the interaction of a relativistic outflow with a wind-like medium peak when the blast wave deceleration sets in, and the afterglow spectrum could be hardening before that peak, as the optical thickness to pair formation is decreasing. In contrast, in afterglows produced in the interaction with a homogeneous medium, the optical thickness to pair formation should increase and yield a light curve peak when it reaches unity, followed by a fast light curve decay, accompanied by spectral softening. If energy is injected in the blast wave, then the accelerated increase of the optical thickness yields a convex afterglow light curve. Other features, such as a double-peak light curve or a broad hump, can arise from the evolution of the optical thickness to photon-photon absorption. Fast decays and convex light curves are seen in a few LAT afterglows, but the expected spectral softening is rarely seen in (and difficult to measure with) LAT observations. Furthermore, for the effects of photon-photon attenuation to shape the high-energy afterglow light curve without attenuating it too much, the ejecta initial Lorentz factor must be in a relatively narrow range (50-200), which reduces the chance of observing those effects.
79 ASTRONOMY AND ASTROPHYSICS↗
Search for heavy dark matter from dwarf spheroidal galaxies: leveraging cascades and subhalo models
Abstract TheFermiLarge Area Telescope (Fermi-LAT) has been widely used to search for Weakly Interacting Massive Particle (WIMP) dark matter signals due to its unparalleled sensitivity in the GeV energy band. The leading constraints for WIMP byFermi-LAT are obtained from the analyses of dwarf spheroidal galaxies within the Local Group, which are compelling targets for dark matter searches due to their relatively low astrophysical backgrounds and high dark matter content. In the meantime, the search for heavy dark matter with masses above TeV remains a compelling and relatively unexplored frontier. In this study, we utilize 14-yearFermi-LAT data to search for dark matter annihilation and decay signals in 8 classical dwarf spheroidal galaxies within the Local Group. We consider secondary emission caused by electromagnetic cascades of prompt gamma rays and electrons/positrons from dark matter, which enables us to extend the search withFermi-LAT to heavier dark matter cases. We also update the dark matter subhalo model with informative priors respecting the fact that they reside in subhalos of our Milky Way halo aiming to enhance the robustness of our results. We place constraints on dark matter annihilation cross section and decay lifetime for dark matter masses ranging from 10 3 GeV to 10 11 GeV, where our limits are more stringent than those obtained by many other high-energy gamma-ray instruments.
Astronomy & Astrophysics↗
Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi
Here, the metallic helimagnet MnSi has been found to exhibit skyrmionic spin textures when subjected to magnetic fields at low temperatures. The Dzyaloshinskii-Moriya (DM) interaction plays a key role in stabilizing the skyrmion state. With the help of first-principles calculations, crystal field theory and a tight-binding model we study the electronic structure and the origin of the DM interaction in the B20 phase of MnSi. The strength of $\vec{D}$ parameter is determined by the magnitude of the spin-orbit interaction and the degree of orbital mixing, induced by the symmetry-breaking distortions in the B20 phase. We find that, strong coupling between Mn-$d$ and Si-$p$ states lead to a mixed valence ground state $|d^{7-x}p^{2+x}\rangle$ configuration. The experimental magnetic moment of $0.4~\mu_B$ is consistent with the Coulomb-corrected DFT+$U$ calculations, which redistributes electrons between the majority and minority spin channels. We derive the magnetic interaction parameters $J$ and $\vec{D}$ for Mn-Si-Mn superexchange paths using Moriya's theory assuming the interaction to be mediated by $e_g$ electrons near the Fermi level. Finally, using parameters from our calculations, we get reasonable agreement with the observations.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Indirect signals from solar dark matter annihilation to long-lived right-handed neutrinos
In this paper, we study indirect detection signals from solar annihilation of dark matter (DM) particles into light right-handed (RH) neutrinos with a mass in a 1–5 GeV range. These RH neutrinos can have a sufficiently long lifetime to allow them to decay outside the Sun, and their delayed decays can result in a signal in gamma rays from the otherwise “dark” solar direction, and also a neutrino signal that is not suppressed by the interactions with solar medium. We find that the latest Fermi-LAT and IceCube results place limits on the gamma ray and neutrino signals, respectively. Combined photon and neutrino bounds can constrain the spin-independent DM-nucleon elastic scattering cross section better than direct detection experiments for DM masses from 200 GeV up to several TeV. Finally, the bounds on spin-dependent scattering are also much tighter than the strongest limits from direct detection experiments.
79 ASTRONOMY AND ASTROPHYSICS↗