Resonant Impurity Research Articles

Optical manipulations without light forces: deep superlattice for trapping and rotation of impurity particles in a buffer gas

We propose a scheme to obtain a deep optical superlattice (OSL) for resonant impurity particles in a buffer gas. In contrast to the well-known traditional methods of forming optical lattices (supelattices) that are based on the gradient force of radiation pressure, the presented scheme is based on the effect of a light induced drift (LID) in interfering light waves. The principle of its operation is based on the conception of so-called rectified forces induced by interfering bichromatic optical fields, which was developed earlier in the theory of resonant radiation-pressure forces. In the scheme under consideration, a deep OSL (with a period much larger than the optical wavelength) is formed due to the action of the effective rectified force on atomic particles which is proportional to the difference between the frequencies of transport collisions of excited and unexcited particles with buffer gas atoms.

Electron paramagnetic resonance and luminescence spectroscopy of transition metal ion impurities and X-ray-induced radicals in brushite

Calcium phosphates hold paramount importance as the constituents of hard tissue of living organisms. Among them, brushite (CaHPO4·2H2O), also known as dicalcium phosphate dihydrate (DCPD), is a common precursor in phosphate synthesis and is becoming increasingly appealing as a biomaterial for bone regeneration applications. This study presents a comparative analysis of structural, morphological, thermal, and spectroscopic properties of synthetic brushite prepared by the wet precipitation method with several brushite products available from commercial vendors. Electron paramagnetic resonance (EPR) spectroscopy revealed that Mn2+ and Fe3+ ions are common trace impurities in commercial products. Following exposure to X-rays, EPR signals of several phosphorous-related radicals emerge. The annealing of the irradiated samples gives rise to broad thermally stimulated luminescence (TSL) signals in the 40–120 °C range, which correlates with the annealing kinetics of the radicals. The stability of radiation-induced EPR and TSL signals is limited by the phase transformation temperature from brushite to monetite (CaHPO4). The results of this study provide novel insights into the formation and stability of phosphorous-related radicals and demonstrate how minuscule amounts of impurity ions can strongly influence the spectroscopic properties of brushite.

Modulation of chiral anomaly and bilinear magnetoconductivity in Weyl semimetals by impurity resonance states

Modulation of chiral anomaly and bilinear magnetoconductivity in Weyl semimetals by impurity resonance states

Perspective: Theory and simulation of highly mismatched semiconductor alloys using the tight-binding method

The electronic structure of highly mismatched semiconductor alloys is characterized by carrier localization and strongly influenced by the local alloy microstructure. First-principles calculations can deliver valuable quantitative insight, but their associated computational expense limits alloy supercell size and imposes artificial long-range ordering, which can produce misleading results. The empirical tight-binding method (ETBM) provides a transparent approach to investigate large-scale supercells on an atomistic level, to quantitatively predict the electronic structure of semiconductor alloys. Here, we overview key aspects and considerations for establishing ETBMs. Additionally, we discuss and highlight, given that the ETBM matrix elements are described in the language of overlaps between localized atomic orbitals, that ETBMs have proven highly successful in analyzing the impact of localized and resonant impurity states, as well as disorder, on the optoelectronic properties of highly mismatched alloys. The ETBM continues to provide valuable insight for emerging material systems, including two-dimensional materials, perovskites and their heterostructures, and provides a framework to address technologically relevant questions including the importance of short-range disorder for loss mechanisms such as non-radiative Auger–Meitner recombination. Moreover, the ETBM furnishes a quantitative basis for continuum models such as k⋅p or localization landscape theories, allowing to explicitly incorporate disorder effects in nanostructures to underpin predictive device-level analysis.

Absence of the impurity-resonance spot at a Bi defect located near the Zn impurity in Bi2Sr2Ca(Cu1-xZnx)2O8+δ

Zn dopants to Cu sites in high-Tc cuprates strongly suppress superconductivity and act as impurities with a strong quasiparticle scattering resonance. Using the scanning tunneling microscope, we investigate the electronic structure in the atomic scale around Zn impurities in Bi2Sr2Ca(Cu1-xZnx)2O8+δ. The intense scattering resonance of the Zn impurity in the CuO2 layer strongly affects the measured local density of states of the BiO layer on the surface. The pattern of the bound state induced by a Zn impurity consists of a central spot at the Bi atom just above the Zn impurity and eight symmetric spots at the next nearest neighboring (NNN) and the third nearest neighboring (3NN) sites of Bi atoms. When the Bi atom above the NNN Cu atom is missing, the corresponding scattering spot is absent simultaneously. Our results indicate that the measured impurity-induced bound state pattern is strongly influenced by Bi atoms on the surface and therefore supports the “filter” theoretical model of the nonlocal interlayer tunneling effect from the CuO2 layer to the BiO layer on the surface. Our research provides extra information about the impurity-induced bound state by Zn impurities.

A hybrid mechanism of 3D optical trapping of particles immersed in a cold buffer gas

A novel mechanism of the formation of a deep optical superlattice (OSL) for three-dimensional (3D) trapping of resonant impurity atoms immersed in a transparent cold buffer gas is proposed and investigated theoretically. This mechanism is associated with the joint action of two factors of different physical nature: rectification effect of the gradient force of light pressure and effect of the light induced drift (LID) of atoms (a consequence of the difference in gas-kinetic cross sections of excited and unexcited atoms). Such a situation can be realised when a gas mixture is irradiated by a bichromatic combined light beam which is a special coaxial superposition of cosine-Gaussian optical beams. Here, the RcGF creates a periodic 1D array of deep potential wells (OSL) along the beam axes, and an effective force, causing LID, pulls resonant particles into the combined light beam and provides their transverse (with respect to the beam axes) confinement in OSL. As a result, there can occur a giant accumulation of impurity particles in the OSL cells, accompanied by a strong spatial particle localization far away from the walls of the reservoir, in which the gas mixture is located.

Thermoelectric enhancement for n-type PbS via synergistic effect of Ti doping and Cu2S compositing

PbS is identified as a potential alternative candidate material for thermoelectric power generation and refrigeration, owing to the resemblance with PbTe in crystal and band structures. However, the thermoelectric performance has reached a bottleneck because of its inferior electronic structure and high lattice thermal conductivity. This work focuses on optimizing the electron–phonon transport by the synergistic effect of Ti and Cu2S in n-type PbS. The first-principles calculation, single Kane band model, and Debye model reveal the physical origin of thermoelectric enhancement. The Ti doping introduces a donor-defect state, leading to a high electrical conductivity and a suppression of bipolar diffusion. However, the band structure of PbS is not ideally optimized due to the localization effect of the Ti resonant impurity states. Furthermore, the co-added Cu2S induces additional point defects, multiscale secondary phases, and Cu-rich precipitates at grain boundaries, which significantly scatter phonons in a wide frequency range and reduce the lattice thermal conductivity. As a result, the maximum zT of ∼0.8 at 823 K and the average zTave of ∼0.46 from 300 to 623 K are achieved in n-type Pb0.99Ti0.01S–2%Cu2S, demonstrating the important roles of Ti and Cu2S on improving thermoelectrics in n-type PbS.

High-resolution real-space evaluation of the self-energy operator of disordered lattices: Gade singularity, spin–orbit effects and p-wave superconductivity

Disorder is a key factor influencing the behavior of condensed states of matter, however the true extent of its impact is generally difficult to determine due to the prominent roles played by quantum interference, entanglement between spin and orbital degrees of freedom and proximity to quantum critical points. Here we show that the one-particle disorder self-energy—a direct probe of the renormalization of low-energy excitations due to defects and impurities distributed randomly in a crystal—can be obtained by means of unbiased spectral expansions of lattice Green’s functions in a computationally expedient manner. Our scheme provides a powerful framework to map out the frequency and wavevector dependence of electronic excitations in unprecedented large tight-binding systems, up to 109 orbitals, with energy resolution only limited by the mean level spacing. We demonstrate the versatility of our approach in three distinct problems: (i) the Gade singularity in honeycomb layers with dilute topological defects; (ii) the rich landscape of impurity resonances in a spin–orbit-coupled ferromagnet; and (iii) the tailoring of emergent s-wave and p-wave superconducting phases in graphene via atomic defects. These examples reveal rich features in the disorder self-energy that are absent from the self-consistent T-matrix approach and other common approximation schemes, which include regimes of nontrivial wavevector dependence and anomalous dependence upon the impurity concentration. Our study unravels puzzling, and so far largely inaccessible, manifestations of strong nonperturbative quantum interference effects in quantum materials and disordered phases of matter.

Argon pumpout by ICRF waves in C-Mod L- and I-mode plasmas

Pumpout of argon ions by ICRF waves has been observed in C-Mod deuterium L- and I-mode plasmas that had a substantial hydrogen fraction. The effect is manifested by a reduction of core argon x-ray brightness up to a factor of 90% on time scales of tens of milliseconds following injection of ICRF power. For Ar16+, the pumpout is strongest for hydrogen minority concentrations between 0.25 and 0.4, when the ICRF waves are not expected to result in minority heating. Modeling with the TORIC code suggests that the pumpout process occurs when the H/D mode conversion layer overlaps with the 2nd harmonic impurity resonance layer. The magnitude of the argon pumpout is independent of ICRF power above an apparent threshold of ∼500 kW, independent of electron density and appears to decrease as the plasma current is increased. Potential application as a heavy impurity control tool in reactors is discussed.

Spin relaxation, Josephson effect, and Yu-Shiba-Rusinov states in superconducting bilayer graphene

Bilayer graphene has two non-equivalent sublattices and, therefore, the same adatom impurity can manifest in spectrally distinct ways-sharp versus broad resonances near the charge neutrality-depending on the sublattice it adsorbs at. Employing Green's function analytical methods and the numerical Kwant package we investigate the spectral and transport interplay between the resonances and superconducting coherence induced in bilayer graphene by proximity to an s-wave superconductor. Analyzing doping and temperature dependencies of quasi-particle spin-relaxation rates, energies of Yu-Shiba-Rusinov states, Andreev spectra and the supercurrent characteristics of Josephson junctions we find unique superconducting signatures discriminating between resonant and off-resonant regimes. Our findings are in certain aspects going beyond the superconducting bilayer graphene and hold for generic s-wave superconductors functionalized by the resonant magnetic impurities.

Robust behavior and spin-texture stability of the topological surface state in Bi2Se3 upon deposition of gold

The Dirac point of a topological surface state (TSS) is protected against gapping by time-reversal symmetry. Conventional wisdom stipulates, therefore, that only through magnetisation may a TSS become gapped. However, non-magnetic gaps have now been demonstrated in Bi2Se3 systems doped with Mn or In, explained by hybridisation of the Dirac cone with induced impurity resonances. Recent photoemission experiments suggest that an analogous mechanism applies even when Bi2Se3 is surface dosed with Au. Here, we perform a systematic spin- and angle-resolved photoemission study of Au-dosed Bi2Se3. Although there are experimental conditions wherein the TSS appears gapped due to unfavourable photoemission matrix elements, our photon-energy-dependent spectra unambiguously demonstrate the robustness of the Dirac cone against high Au coverage. We further show how the spin textures of the TSS and its accompanying surface resonances remain qualitatively unchanged following Au deposition, and discuss the mechanism underlying the suppression of the spectral weight.

Progress of HL-2A experiments and HL-2M program

Since the last IAEA Fusion Energy Conference in 2018, significant progress of the experimental program of HL-2A has been achieved on developing advanced plasma physics, edge localized mode (ELM) control physics and technology. Optimization of plasma confinement has been performed. In particular, high-β N H-mode plasmas exhibiting an internal transport barrier have been obtained (normalized plasma pressure β N reached up to 3). Injection of impurity improved the plasma confinement. ELM control using resonance magnetic perturbation or impurity injection has been achieved in a wide parameter regime, including types I and III. In addition, impurity seeding with supersonic molecular beam injection or laser blow-off techniques has been successfully applied to actively control the plasma confinement and instabilities, as well as plasma disruption with the aid of disruption prediction. Disruption prediction algorithms based on deep learning are developed. A prediction accuracy of 96.8% can be reached by assembling a convolutional neural network. Furthermore, transport resulting from a wide variety of phenomena such as energetic particles and magnetic islands has been investigated. In parallel with the HL-2A experiments, the HL-2M mega-ampere class tokamak was commissioned in 2020 with its first plasma. Key features and capabilities of HL-2M are briefly presented.

Advances in the long-pulse steady-state high beta H-mode scenario with active controls of divertor heat and particle fluxes in EAST

Since the last IAEA-Fusion Energy Conference, the Experimental Advanced Superconducting Tokamak (EAST) research program has been, in support of ITER and CFETR, focused on development in terms of the long-pulse steady-state (fully noninductive) high beta H-mode scenario with active controls of the stationary and transient divertor heat and particle fluxes. The operational domain of the steady-state H-mode plasma scenario has been significantly extended with ITER-like tungsten mono-block divertor, plasma control and heating schemes. EAST has achieved several important milestones in the development of high β p H-mode scenario and its key physics and technologies. A 60 s-scale long-pulse steady-state high β p H-mode discharge with the major normalized plasma parameters similar to the designed performance of the CFETR 1 GW fusion power operation scenario has been successfully established and sustained by pure RF heating and current drive. Several feedback control schemes have been developed for a sustained detachment with good core confinement. This includes control of the total radiation power, target electron temperature, and particle flux measured using divertor Langmuir probes or a combination of the control of target electron temperature and AXUV radiation near the X point. The detachment feedback control schemes have been integrated with small-ELM regimes and high β p scenario via neon seeding, enabling a core and edge compatible integrated high-beta scenario applicable to long-pulse operations. ELM suppression has been achieved using various methods, including resonant magnetic perturbations and impurity seeding. Full suppression of ELMs by using n = 4 RMPs has been demonstrated for ITER for the first time in low input torque plasmas in EAST. EAST has been operated with helium to support the ITER research requirements for the first time. For a long-pulse, high bootstrap current fraction operation, a new lower tungsten divertor with active water-cooling has been installed, along with improvements in the heating and current drive capability.

Revealing sign-reversal s+− -wave pairing by quasiparticle interference in the heavy-fermion superconductor CeCu2Si2

Recent observations of two nodeless gaps in superconducting CeCu$_2$Si$_2$ have raised intensive debates as to its exact gap structure of either sign-reversal ($s^{+-}$) or sign-preserving ($s^{++}$) pairing. Here we investigate the quasiparticle interference (QPI) using realistic Fermi surface topology for both weak and strong interband impurity scatterings. Our calculations of the QPI and integrated antisymmetrized local density of states reveal qualitative distinctions between $s^{+-}$ and $s^{++}$ pairing states, which include the intragap impurity resonance and a significant energy-dependence difference between two gap energies. Our predictions provide a guide for phase-sensitive QPI measurements to uncover decisively the true pairing symmetry in the heavy-fermion superconductor CeCu$_2$Si$_2$.

High Thermoelectric Performance of p-Type PbTe Enabled by the Synergy of Resonance Scattering and Lattice Softening.

In this work, we show the simultaneous enhancement of electrical transport and reduction of phonon propagation in p-type PbTe codoped with Tl and Na. The effective use of advanced electronic structure engineering improves the thermoelectric power factor S2σ over the temperature range from 300 to 825 K. A rise in the Seebeck coefficient S was obtained due to the enhanced effective mass m*, coming from the Tl resonance state in PbTe. Due to the presence of additional carriers brought by Na codoping, electrical conductivity became significantly improved. Furthermore, Tl and Na impurities induced crystal lattice softening, remarkably reducing lattice thermal conductivity, which was confirmed by a measured low speed of sound vm and high internal strain CεXRD. Eventually, the combination of both the attuned electronic structure and the lattice softening effects led to a very high ZT value of up to ∼2.1 for the Pb1-x-yTlxNayTe samples. The estimated energy conversion efficiency shows the extraordinary value of 15.4% (Tc = 300 K, Th = 825 K), due to the significantly improved average thermoelectric figure of merit ZTave = 1.05. This work demonstrates that the combination of impurity resonance scattering and crystal lattice softening can be a breakthrough concept for advancing thermoelectrics.

Residual resistivity as an independent indicator of resonant levels in semiconductors.

Distortion of the density of states induced by specific impurities, a mechanism known as resonant level (RL), is an efficient strategy to enhance the thermoelectric performances of metals and semiconductors. So far, experimental signatures identifying the resonant nature of an impurity have relied on the so-called Ioffe-Pisarenko plot that enables visualizing the induced thermopower enhancement at specific carrier concentrations. However, this method cannot solely discern RL from other possible band-structure-related sources of thermopower enhancement such as band-shape modifications or band convergence. An independent method of resolving this problem is proposed here. A detailed theoretical and experimental analysis of the low-temperature electrical resistivity ρ0 and carrier mobility μ0 of the resonant-level system SnTe doped with In is presented as a function of the impurity concentration x. By comparing to non-resonant cases of SnTe doped with I, Mn, and Ga, we demonstrate that the construction of residual resistivity ρ0(x) and residual mobility μ0(x) plots allows to distinguish between resonant and non-resonant impurities, even when some of them induce similar thermopower enhancements. This methodology is further confirmed by analyses performed for Na- and Tl-doped PbTe, illustrating how the combination of transport measurements at low temperatures can be used to determine the resonant nature of an impurity.

Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances

We theoretically investigate the exchange interaction between magnetic impurities in ultrathin Bi$_2$Se$_3$ topological insulator films by taking into account the low-energy states produced by the impurities. We find that the locally induced impurity resonances strongly influence the exchange interaction between magnetic moments. In particular, we find a non-collinear alignment being more favorable than the collinear ferromagnetic alignment preferred when impurity states are ignored and only the pristine topological insulator band structure is considered. Moreover, we show that by applying of an electric field perpendicular to the ultrathin film, the exchange interaction can be drastically enhanced. This opens for the possibility of highly tunable magnetism by electric field.

Impurity resonance effects in graphene versus impurity location, concentration, and sublattice occupation

Unique electronic band structure of graphene with its semi-metallic features near the charge neutrality point is sensitive to impurity effects. Using the Lifshitz and Anderson impurity models, we study in detail the disorder induced spectral phenomena in the electronic band structure of graphene, namely, the formation of resonances, quasi-gaps, bound states, impurity sub-bands, and their overall impact on the electronic band restructuring and the associated Mott-like metal-insulator transitions. We perform systematic analytical and numerical study for realistic impurities, both substitutional and adsorbed, focusing on those effects that stem from the impurity adatoms locations (top, bridge, and hollow positions), concentration, host sublattice occupation, perturbation strengths, etc. Possible experimental and practical implications are discussed as well.

Spin Relaxation in s-Wave Superconductors in the Presence of Resonant Spin-Flip Scatterers.

Employing analytical methods and quantum transport simulations we investigate the relaxation of quasiparticle spins in graphene proximitized by an s-wave superconductor in the presence of resonant magnetic and spin-orbit active impurities. Off resonance, the relaxation increases with decreasing temperature when electrons scatter off magnetic impurities-the Hebel-Slichter effect-and decreases when impurities have spin-orbit coupling. This distinct temperature dependence (not present in the normal state) uniquely discriminates between the two scattering mechanisms. However, we show that the Hebel-Slichter picture breaks down at resonances. The emergence of Yu-Shiba-Rusinov bound states within the superconducting gap redistributes the spectral weight away from magnetic resonances. The result is opposite to the Hebel-Slichter expectation: the spin relaxation decreases with decreasing temperature. Our findings hold for generic s-wave superconductors with resonant magnetic impurities, but also, as we show, for resonant magnetic Josephson junctions.

Quantum magnetic impurity resonance states in monolayer FeSe superconductor with different pairing symmetries

In this work, we study the magnetic impurity resonance states in monolayer FeSe superconductor for different pairing symmetries. When the magnetic impurity is hybridized to one of the two electronic pockets at M point, we find that there will be two in-gap resonance peaks located symmetrically at the two sides of the Fermi energy. The intensities of the two peaks are comparable for s-wave and d-wave pairings. For the p-wave pairing, the intensity of the positive resonance peak is much smaller than the negative one. When the magnetic impurity is hybridized to the two electronic pockets simultaneously and spin-orbit coupling is considered, the two resonance peaks will be split into four for d-wave pairing. This splitting is absent for s-wave and p-wave pairings. These features can be considered as signatures to distinguish the pairing potential symmetries.