Hole States Research Articles

Near-threshold two-photon double ionization of Kr in the vacuum ultraviolet

We report angle-resolved measurements on photoelectrons emitted upon near-threshold two-photon double ionization (TPDI) of Kr irradiated by free-electron laser (FEL) pulses. These photoelectron angular distributions (PADs) are compared with the results of semirelativistic $R$-matrix calculations. As reported by Augustin et al. [Phys. Rev. A 98, 033408 (2018)], it is found that the presence of autoionizing resonances within the bandwidth of the exciting FEL pulse strongly influences the PADs. In contrast to measurements on lower-$Z$ targets such as Ne and Ar, the larger spin-orbit interaction, inherent in $4p$-subshell hole states of Kr, permits us to resolve and study PADs associated with some of the fine-structure components of the ${\mathrm{Kr}}^{+}$ and ${\mathrm{Kr}}^{2+}$ ions.

Electronic structure of vertically coupled quantum dot-ring heterostructures under applied electromagnetic probes. A finite-element approach

We theoretically investigate the electron and hole states in a semiconductor quantum dot-quantum ring coupled structure, inspired by the recent experimental report by Elborg and collaborators (2017). The finite element method constitutes the numerical technique used to solve the three-dimensional effective mass equation within the parabolic band approximation, including the effects of externally applied electric and magnetic fields. Initially, the features of conduction electron states in the proposed system appear discussed in detail, under different geometrical configurations and values of the intensity of the aforementioned electromagnetic probes. In the second part, the properties of an electron-hole pair confined within the very kind of structure reported in the reference above are investigated via a model that tries to reproduce as close as possible the developed profile. In accordance, we report on the energies of confined electron and hole, affected by the influence of an external electric field, revealing the possibility of field-induced separate spatial localization, which may result in an indirect exciton configuration. In relation with this fact, we present a preliminary analysis of such phenomenon via the calculation of the Coulomb integral.

Exchange interactions and sensitivity of the Ni two-hole spin state to Hund's coupling in doped NdNiO2

Using density functional based LDA+U method and linear-response theory, we study the magnetic exchange interactions of the superconductor Nd{1-x}Sr{x}NiO2. Our calculated nearest-neighbor exchange constant J1=82 meV is large, weakly affected by doping and is only slightly smaller than that found in the sister compound CaCuO2. We however find that the hole doping significantly enhances the inter--layer exchange coupling as it affects the magnetic moment of the Ni-3d{3z2-r2} orbital. This can be understood in terms of small hybridization of Ni-3d{3z2-r2} within the NiO2 plane which results in a flat band near the Fermi level, and its large overlap along z direction. We also demonstrate that the Nd-5d states appearing at the Fermi level, do not affect the magnetic exchange interactions, and thus may not participate in the superconductivity of this compound. Whereas many previous works emphasize the importance of the Ni-3d{x2-y2} and Nd-5d orbitals, we instead analyze the solution of Ni-3d{x2-y2}/Ni-3d{3z2-r2} minimal model using Dynamical Mean Field Theory. It reveals an underlying Mott insulating state which, depending on precise values of the intra--atomic Hund's coupling less or larger than 0.83 eV, selects upon doping either S=0 or S=1 two--hole states at low energies leading to very different quasiparticle band structures. We propose that trends upon doping in spin excitational spectrum and quasiparticle density of state can be a way to probe Ni 3d8 configuration.

Strong spin-orbit interaction and g -factor renormalization of hole spins in Ge/Si nanowire quantum dots

The spin-orbit interaction lies at the heart of quantum computation with spin qubits, research on topologically non-trivial states, and various applications in spintronics. Hole spins in Ge/Si core/shell nanowires experience a spin-orbit interaction that has been predicted to be both strong and electrically tunable, making them a particularly promising platform for research in these fields. We experimentally determine the strength of spin-orbit interaction of hole spins confined to a double quantum dot in a Ge/Si nanowire by measuring spin-mixing transitions inside a regime of spin-blockaded transport. We find a remarkably short spin-orbit length of $\sim$65 nm, comparable to the quantum dot length and the interdot distance. We additionally observe a large orbital effect of the applied magnetic field on the hole states, resulting in a large magnetic field dependence of the spin-mixing transition energies. Strikingly, together with these orbital effects, the strong spin-orbit interaction causes a significant enhancement of the $g$-factor with magnetic field.The large spin-orbit interaction strength demonstrated is consistent with the predicted direct Rashba spin-orbit interaction in this material system and is expected to enable ultrafast Rabi oscillations of spin qubits and efficient qubit-qubit interactions, as well as provide a platform suitable for studying Majorana zero modes.

Thermodynamics of warped anti-de Sitter black holes under scattering of scalar field * *Supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2018R1C1B6004349) and the Dongguk University Research Fund of 2020

We investigate the thermodynamics and stability of the horizons in warped anti-de Sitter black holes of the new massive gravity under the scattering of a massive scalar field. Under scattering, conserved quantities can be transferred from the scalar field to the black hole, thereby changing the state of the black hole. We determine that the changes in the black hole are well coincident with the laws of thermodynamics. In particular, the Hawking temperature of the black hole cannot be zero in the process as per the third law of thermodynamics. Furthermore, the black hole cannot be overspun beyond the extremal condition under the scattering of any mode of the scalar field.

Fundamental Parameters Related to Selenium Kα and Kβ Emission X-ray Spectra

We present relativistic ab initio calculations of fundamental parameters for atomic selenium, based on the Multiconfiguration Dirac-Fock method. In detail, fluorescence yields and subshell linewidths, both of K shell, as well as Kβ to Kα intensity ratio are provided, showing overall agreement with previous theoretical calculations and experimental values. Relative intensities were evaluated assuming the same ionization cross-section for the K-shell hole states, leading to a statistical distribution of these initial states. A method for estimating theoretical linewidths of X-ray lines, where the lines are composed by a multiplet of fine-structure levels that are spread in energy, is proposed. This method provides results that are closer to Kα1,2 experimental width values than the usual method, although slightly higher discrepancies occur for the Kβ1,3 lines. This indicates some inaccuracies in the calculation of Auger rates that have a higher contribution for partial linewidths of the subshells involved in the Kβ1,3 profile. Apart from this, the calculated value of Kβ to Kα intensity ratio, which is less sensitive to Auger rates issues, is in excellent agreement with recommended values.

Spontaneous surface plasmon polariton decay of band-edge excitons in quantum dots near a metal surface

Surface plasmon polaritons (SPPs) due to their subwavelength nature could significantly modify electronic transition behaviors in various optoelectronic systems. Here, using a model system with a spherical quantum dot (QD) close to a flat metal surface, we show that the conventional forbidden optical transitions in a QD could be largely enabled by the spontaneous SPP decay. The electronic states of the QD are approximated by a Bloch state combined with wave functions in a spherical potential well, which provides multiple hole states with mixed electronic multipoles. Moreover, the SPP is quantized by using a canonical quantization scheme followed by a Green's function approach to introduce its dissipation. In particular, we find that when the SPP dissipation is included, the spontaneous decay of the corresponding QD exciton is dominant by the transition into the off-resonance mode of SPPs with large momenta. Also, we have studied the dependence of spontaneous decay rates on the size and crystal orientation of a QD, the distance between the QD and metal surface, and the linewidth of SPPs. Some useful scaling relations have been revealed, and the multipole transitions are found to be comparable with the dipole transition under specific system parameters. These findings have important implications for our understanding of the electronic transition at a metal near field and might prove instrumental for the future design of plasmonic and QD devices.

Фотопроводимость и поглощение инфракрасного излучения в квантовых ямах p-GaAs/AlGaAs

The spectra of low-temperature impurity-assisted far and mid-infrared photoconductivity and absorption in nanostructure with multiple GaAs/AlGaAs quantum wells doped with acceptors are investigated. The experimentally obtained absorption and photoconductivity spectra correlate well with each other. According to the hole and acceptor state energy spectrum calculations the spectral features related to the optical hole transitions from the ground acceptor state to the delocalized states of valence subbands, to the excited acceptor states and to the delocalized states above the quantum well (photoionization) are identified in the absorption and photoconductivity spectra.

Диссипативное туннелирование электронов в вертикально связанных двойных асимметричных квантовых точках InAs/GaAs(001)

We report on the results of experimental studies of the photoelectric properties of a GaAs p-i-n photodiode with InAs/GaAs(001) double asymmetric quantum dots (DAQDs) grown by self-assembling in Metal Organic Vapor Phase Epitaxy (MOVPE) process. Three peaks were observed in the dependence of the photocurrent on the reverse bias measured at monochromatic photoexcitation of the DAQDs at the wavelength corresponding to the energy of interband optical transitions between the ground hole and electron states in the bigger QDs. These peaks were related to the tunneling of the photoexcited electrons between the QDs including the dissipative one (with emission and absorption of the optical phonons). The experimental results agree qualitatively with the theoretical field dependence of the 1D dissipative tunneling probability between the QDs.

Testing the fate of nascent holes in CdSe nanocrystals with sub-10 fs pump-probe spectroscopy.

Numerous studies have reported that transient absorption spectra in core CdSe nanocrystals do not register state filling in 1Sh, an absence which has profound consequences in light-emitting applications. It has been assigned alternatively to rapid hole trapping, or to distribution over a dense degenerate valence band manifold which includes dark states. Here we attempt to observe early contributions of nascent holes to the bleaching of the band edge exciton transition by conducting 1Se1Sh pump-1Se1Sh probe spectroscopy with <10 fs laser pulses on organic ligand passivated CdSe crystals. The results show no rapidly hole-state filling effects in transient absorption measurements even at the earliest delay, despite the use of pulses which are capable of resolving all dissipation mechanisms reflected in the homogeneous 1Se1Sh bandwidth. This proves that neither hole trapping nor rapid redistribution of the nascent hole over energetically available valence band states can explain the absence of hole contributions to band edge bleaching, calling for a mechanistic review of this phenomenon.

Quantum insulator in a semimetal channel on a single type II broken-gap heterointerface in high magnetic fields

The peculiarity of planar quantum magnetotransport in the type II broken-gap p-GaInAsSb/p-InAs heterostructures at high magnetic fields has been investigated. The structure of the hybridized energy spectrum of a two-dimensional semimetal channel at a single type II broken-gap heterointerface was considered in dependence on the composition of the quaternary solid solution. A transition from a conducting state to a dielectric state (quantum insulator) for a 2D-semimetal channel at the heteroboundary was observed in quantizing magnetic fields under the condition of simultaneous filling of the first Landau levels for 2D-electron and interface hole states.

The Mystery on the Physical Conditions for Life

Based on the Perelmann mappings from the homogenous 5D onto the inhomogeneous Lorentz 4D manifold at liquid water phase temperature range, it is shown that coherent and decoherent molecules, water, carbon, hydrogen and oxygen naturally replace the Quarks in the standard model at Bethe fusion temperature as the SU(3) generators, leading to the formation of nitrogenous bases to house the monopole boson eigenstates that can exist within the RNA and DNA. Through which the growth of organic cells by inducing the Off Diagonal Long-Range Order of “p” type hole states in organic rings and bio-cells and thus “Life”.

The First Experience of Dynamic Intramedullary Osteosynthesis of Diaphyseal Fractures of the Tibia Using Implants Based on Magnesium Alloy

Summary. The efficiency of using the dynamic blocking intramedullary osteosynthesis (BIOS) technique for tibial fractures with the use of biodegradable implants based on the MS-10 magnesium alloy was determined.&#x0D; Objective: to approve the technique and to study the effectiveness of dynamic intramedullary osteosynthesis of diaphyseal fractures of the tibia using locking screws made of the biodegradable magnesium alloy MS-10.&#x0D; Materials and Methods. The study was carried out in the Department of Traumatology of the Municipal Non-Profit Enterprise “City Hospital of Emergency and Ambulance” of Zaporizhzhia City Council in Zaporizhzhia on 15 patients with diaphyseal fractures of the tibia, who underwent BIOS. Cannulated intramedullary titanium rods were used as a fixator. In the proximal section, a screw made of titanium alloy was introduced into a dynamic hole; a screw made of a biodegradable magnesium alloy MC-10 was inserted into a static hole. In the postoperative period, the patients underwent a course of complex rehabilitation measures. X-ray control was performed on day 1, at week 4, week 8, and week 16 after the surgery.&#x0D; Results. After the start of the dosed load on the injured limb, a fracture of the locking screw made of MC-10 alloy was radiographically recorded in all patients. The dynamic screw moves in the dynamic hole and the fracture is dynamized. The formation of callus in the fracture zone was unremarkable and took an average physiological time. The quality and structure of callus did not show any pathological features. Four months after the surgery, all patients were socially adapted and did not use additional support when moving.&#x0D; Conclusions. Based on the data obtained, it is possible to draw a conclusion about the possibility and advisability of using biodegradable implants made of magnesium alloy MS-10 in a dynamic BIOS of long bones of the human skeleton.

DMRG study of exciton condensation in the extended Falicov-Kimball model

The formation and condensation of excitonic bound states of conduction-band electrons and valence-band holes surely belongs to one of the most exciting ideas of contemporary solid state physics. In this short review we present the latest progress in this field reached by the density-matrix-renormalization-group (DMRG) calculations within various extensions of the Falicov-Kimball model. Particular attention is paid to a description of crucial mechanisms (interactions) that affect the stability of the excitonic phase, and namely: (i) the interband $d$-$f$ Coulomb interaction, (ii) the $f$-electron hopping, (iii) the nonlocal hybridization with odd and even parity, (iv) combined effects of the local and nonlocal hybridization, (v) the nearest-neighbor Coulomb interaction between $d$ and $f$ electrons and (vi) the correlated hopping. The relevance of numerical results obtained within different extensions of the Falicov-Kimball model for a description of the real $d$-$f$ materials is widely discussed.

Combining nuclear reactions and structure with the dispersive optical model

A review of recent applications of the nonlocal dispersive optical model (DOM) is presented that allows a simultaneous description of nuclear structure and nuclear reactions. An assessment of the quality of the resulting potentials for 40Ca and 48Ca is discussed for the description of the (e, e′p) reaction to valence hole states and the possibility of interpreting the data in terms of absolute spectroscopic factors. The relevance of these results in the context of conflicting interpretations between transfer and knockout reactions is pointed out as well as the importance of proton reaction cross sections for isotopes with neutron excess. Application of the nonlocal DOM to 48Ca incorporates the effect of the 8 additional neutrons and allows for an excellent description of elastic scattering data of both protons and neutrons. The corresponding neutron distribution constrained by all available data generates a prediction for the neutron skin that is larger than most mean-field and available ab initio results. Results are presented for the most recent nonlocal DOM analysis of 208Pb.

Band structure and end states in InAs/GaSb core-shell-shell nanowires

Quantum wells in InAs/GaSb heterostructures can be tuned to a topological regime associated with the quantum spin Hall effect, which arises due to an inverted band gap and hybridized electron and hole states. Here, we investigate electron-hole hybridization and the fate of the quantum spin Hall effect in a quasi one-dimensional geometry, realized in a core-shell-shell nanowire with an insulator core and InAs and GaSb shells. We calculate the band structure for an infinitely long nanowire using $\mathbf{k \cdot p}$ theory within the Kane model and the envelope function approximation, then map the result onto a BHZ model which is used to investigate finite-length wires. Clearly, quantum spin Hall edge states cannot appear in the core-shell-shell nanowires which lack one-dimensional edges, but in the inverted band-gap regime we find that the finite-length wires instead host localized states at the wire ends. These end states are not topologically protected, they are four-fold degenerate and split into two Kramers pairs in the presence of potential disorder along the axial direction. However, there is some remnant of the topological protection of the quantum spin Hall edge states in the sense that the end states are fully robust to (time-reversal preserving) angular disorder, as long as the bulk band gap is not closed.

Femtosecond fragmentation of CS2 after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motion

We present a combined experimental and theoretical study of the fragmentation of molecular CS2 after sulfur 1s Auger cascade decay, consisting of electron–multi-ion coincidence spectra of charged fragments and theoretical simulations combining density functional theory and molecular dynamics. On the experimental side, a procedure for a complete determination of all sets of ions formed is described. For many of the fragmentation channels, we observed a higher charge in one of the sulfur atoms than the other atoms. Based on these observations and the theoretical simulations where the time scale of the nuclear motion and decay is taken into account, we propose that KLL Auger decay after the 1s core hole creation, via 2p double hole states, results in highly charged and strongly repulsive states with one localized core hole. These localized core holes are sufficiently long-lived that some will decay after fragmentation of the molecular ion, thereby efficiently impeding charge exchange between the fragments.

Photoelectron spectra and angular distribution in sequential two-photon double ionization in the region of autoionizing resonances of ArII and KrII

Autoionizing hole states with electron configuration nsnp5 mp are studied in Ar+ and Kr+. Total and partial photoionization cross sections, photoelectron spectra and photoelectron angular distributions in the region of the resonances are obtained theoretically in extensive R-matrix calculations. The states of Ar+ are observed by means of excitation by a free-electron laser operating in the vacuum- and extreme-ultraviolet wavelength regime combined with angle-resolved photoelectron spectroscopy. Fine tuning of the photon energy allows scanning of the resonances and the observation of the shape of the partial cross section ratio, as well as the asymmetry parameter of the angular distribution of the photoelectrons. The calculations are in good agreement with the experimental data.

Chemical and structural origin of hole states in yttria-stabilized zirconia

Yttria-stabilized zirconia (YSZ) has important electrochemical applications as a fast oxygen ion conductor and is the state-of-the-art electrolyte material for solid oxide fuel/electrolyzer cells. While much attention has been paid to the fast oxygen ion conduction, the electronic conductivity and especially hole carriers are not well understood, yet essential for the electrochemical stability, conduction kinetics and microstructural evolution in YSZ. The present work uses first-principles calculations to illustrate the chemical nature and local structural features of hole states in oxidized YSZ. Three types of hole states have been identified, including delocalized hole states on normal oxygen ions, localized hole states on special oxygen ions with extreme local structures, and peroxide-like groups. The implications on various experimental observations are discussed.

Efficient Intermolecular Energy Exchange and Soft Ionization of Water at Nanoplatelet Interfaces.

X-ray, energetic photon, and electron irradiation can ionize and electronically excite target atoms and molecules. These excitations undergo complicated relaxation and energy-transfer processes that ultimately determine the manifold system responses to the deposited excess energy. In weakly bound gas- and solution-phase samples, intermolecular Coulomb decay (ICD) and electron-transfer-mediated decay (ETMD) can occur with neighboring atoms or molecules, leading to efficient transfer of the excess energy to the surroundings. In ionic solids such as metal oxides, intra- and interatomic Auger decay produces localized final states that lead to lattice damage and typically the removal of cations from the substrate. The relative importance of Auger-stimulated damage (ASD) versus ICD and ETMD in microsolvated nanoparticle interfaces is not known. Though ASD is generally expected, essentially no lattice damage resulting from the ionization and electronic excitation of microsolvated boehmite (AlOOH) nanoplatelets has been detected. Rather efficient energy transfer and soft ionization of interfacial water molecules has been observed. This is likely a general phenomenon at gas-oxyhydroxide nanoparticle interfaces where the density of states of the ionized chemisorbed species significantly overlaps with the core hole states of the solid.