Evidence for a positron-exciton insulator in alkali-halide crystals

The angular correlation of annihilation photons for single crystals of 60% KCl-40% KBr solid solutions and X-irradiated NaBr crystals were measured. For 60% KCl-40% KBr samples the measurements of the angular correlation curves were carried out under an external magnetic field of 13.0 kG. The experimental data and theoretical estimations show that thermalized positrons, captured by free cation vacancies, form the positron centre of F₄-type; if the positrons are localized near the complex defects, containing the cation vacancies, the formation of peculiar “positron-exciton complex” of the positronium-like type is realized.     

Low energy positron scattering from atoms in and on solids observed with low energy positron diffraction and reemission microscopy

The present status of low energy positron diffraction (LEPD) and positron reemission microscopy (PRM) is reviewed in the context of unanswered questions regarding the elastic scattering of positrons in the 1–300 eV energy range from atoms in solids and at solid surfaces. Recent LEPD studies yield an agreement between theoretical and experimental diffraction intensities for semiconductors that has never been equalled in electron diffraction studies. This situation is discussed in terms of the repulsive interaction between the positron and the embedded atomic potential and the lack of exchange with the nonspherically distributed valence electrons. The scattering of re-emitted positrons in PRM from atoms chemisorbed or physisorbed on the re-emitting surface has not yet received the same theoretical attention as scattering from embedded atoms in LEPD. Possible ways in which positron scattering from overlying atomic structures manifests itself in PRM as well as positron re-emission holography are discussed, both from the practical viewpoint of observing these structures and in the context of fundamental questions regarding the positron re-emission process itself.     

Positron annihilation studies of vacancy-type defects

The annihilation radiation of low energy positrons gives information on the electronic and defect structure of solids. There are three conventionally measurable quantities: the positron lifetime, the angular correlation of 2 annihilation radiation and the Doppler-broadened annihilation line shape. In the presence of lattice defects the annihilation characteristics show considerable changes. This is due to positron trapping at defects like vacancies and their agglomerates, voids, dislocations and grain boundaries. The concentration of defects can be deduced from the ratio of trapped and free positrons.The annihilation characteristics are different for different defect configurations. Positrons reveal vacancy agglomeration and the lifetime of trapped positrons gives estimates on the size of microvoids in the range of 2–10 Å. Various examples on the study of equilibrium and non-equilibrium defects, radiation damage and defect annealing are presented. Special emphasis is given to vacancy recovery and vacancy-impurity interactions in electron and neutron irradiated bcc transition metals like Fe, Mo, Nb, Ta.     

Defects in III–V semiconductor surfaces

This work reports the measurement of the nano-scale physical properties of surface vacancies and the extraction of the types and concentrations of dopant atoms and point defects inside compound semiconductors, primarily by cross-sectional scanning tunneling microscopy on cleavage surfaces of III–V semiconductors. The results provide the basis to determine the physical mechanisms governing the interactions, the formation, the electronic properties, and the compensation effects of surface as well as bulk point defects and dopant atoms. Received: 10 May 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002     

Positron lifetimes in proton-irradiated silicon

Substantial extensions of the shorter of two positron lifetimes in p-type silicon upon proton irradiations have been observed, showing that some induced defects can act as traps for positrons. The mean electron density of the defect has been found to be about 30 per cent less than that in the perfect part of the crystal. The result demonstrates that the positron-lifetime measurement is a useful tool for studying defects in semiconductors.     

S空位调节扶手型二硫化钼纳米带的电子性质

二硫化钼纳米带按边界结构特征可分为锯齿型和扶手型,在制备过程中,不可避免地会存在一定的缺陷,其中硫空位(VS)最为常见,它将改变纳米结构,进而影响其电子性质。本文采用密度泛函理论来研究S空位对扶手型二硫化钼纳米带性质的影响。计算结果表明：纯扶手型二硫化钼纳米带（AMoS2NRs）为非磁性半导体,但其物性受S空位的位置及浓度所调制。当S空位出现在纳米带内部时,其性质不变。但当S空位在纳米带边缘时,AMoS2NRs被调节成半金属;并随着S空位的浓度的增加,其物性从半金属转变为稀磁半导体。这一有趣的发现将使得低维MoS2纳米材料在自旋电子学上有更宽广的应用。     

Description of force surfaces in atomic force microscopy with allowance for the mobility of the lattice atoms

The surfaces of constant force and the profiles of the horizontal component of the force during scanning of the tip of an atomic force microscope above the surface of a close-packed lattice in the contact mode are calculated taking account of the mobility of the lattice atoms. It is shown that when the mobility is taken into account, the previously observed discontinuities on the surface of constant force arise at smaller scanning forces on the tip above the surface than in the immobile-atom approximation. The force surfaces arising when scanning above vacancies are obtained. The possibility of using atomic force microscopy data for diagnostics of point defects on a solid surface is discussed.     

Investigation of structural vacancies in titanium monoxide by electron-positron annihilation

Local atomic environment of vacancies in nonstoichiometric titanium monoxide ranging in composition from TiO_0.74 to TiO_1.26 was studied by electron-positron annihilation. Analysis of the Doppler broadening spectra of the annihilation gamma line for titanium and liquid oxygen showed that positrons in titanium monoxide are trapped by titanium vacancies. Experiments revealed that the lifetime of positrons in ordered and disordered titanium monoxide TiO _y increases with increasing oxygen content y and varies from 184 to 210 ps. Data on the valence electron density permitted the prediction that the lifetime of free positrons in stoichiometric titanium monoxide is about 140 ps and the lifetime of positrons localized in an oxygen vacancy is about 170 ps. The method used to analyze the gamma-line Doppler broadening spectra makes it possible to determine the type and number of atoms around a vacancy and to investigate order-disorder phase transformations in nonstoichiometric compounds.     

Electromagnetic radiation from relativistic positrons reflected at small angles by a solid surface

The spectral, angular and polarization characteristics of the electromagnetic radiation generated by relativistic positrons reflected at small angles by a solid surface are obtained in the dipole approximation of classical electrodynamics. The effects investigated are produced by coherent interaction of the reflected positrons with atomic chains on the solid surface. The interference effects accompanying positron multireflection by two parallel solid surfaces are discussed.     

Positronium atom in semiconductors

Evaluation of the lifetimes of positronium is given in relation to binding, dissociation, and annihilation within a wide internal of temperatures. At low temperatures, the overwhelming proportion of positrons becomes bound into atoms of positronium, and from such states is annihilated with the electrons of the crystal. The study of the annihilation of positrons in the semiconductors at low temperatures can give information on the parameters of the positronium atom, and, consequently, also on the exciton states.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 38–40, April, 1974.     

Direct visualization of structural defects in 2D semiconductors

Direct visualization of the structural defects in two-dimensional (2D) semiconductors at a large scale plays a significant role in understanding their electrical/optical/magnetic properties, but is challenging. Although traditional atomic resolution imaging techniques, such as transmission electron microscopy and scanning tunneling microscopy, can directly image the structural defects, they provide only local-scale information and require complex setups. Here, we develop a simple, non-invasive wet etching method to directly visualize the structural defects in 2D semiconductors at a large scale, including both point defects and grain boundaries. Utilizing this method, we extract successfully the defects density in several different types of monolayer molybdenum disulfide samples, providing key insights into the device functions. Furthermore, the etching method we developed is anisotropic and tunable, opening up opportunities to obtain exotic edge states on demand.     

Lattice defects of V3Si single crystals studied by positron annihilation

The sensitivity of positrons to point defects created by the irradiation of V₃Si with neutrons is demonstrated. We found no indication of thermal vacancies by thermal equilibrium measurement up to 1273 K which indicates that the monovacancy formation enthalpy for V₃Si isH _1V ^F ≧(1.84±0.14) eV. Investigations within the range of homogeneity for excess vanadium suppot the idea that substitutional defects are the dominating defect type, whereas for excess silicon a direct confirmation of existing structural vacancies as the dominating defect type is given.     

正电子慢化体的研究和进展

正电子湮没技术是一种研究材料的微观缺陷和相变的灵敏工具,在通常的正电子谱仪中,正电子能量为MeV量级,在样品中注入深度比较学（－100μm）,主要研究材料体内的平均缺陷密度,慢正电子束方法把正电子的能量降低为keV量级（而且可以调节）,注入比较浅（－μm）,所以是研究表面缺陷的探测手段,正电子慢化体是产生慢正电子的关键设备,对其研究有重要意义,文章综述了慢化体研究的历史和现状,从物理概念出发介绍使正电子慢化的四种可能方法和当今慢化体的五种几何排列方法,其中应用最广泛的是钨慢化体和百叶窗式的排列方式,效率最高的是惰性气体固体慢化体,而加电场慢化体是有待开发的高效慢化体。     

Defects at surfaces and interfaces — A scattering theoretical approach

A theory for isolated defects at surfaces and interfaces of semiinfinite solids is presented and applied to vacancies at or near surfaces. Vacancy-induced changes in the surface electronic structure of a simple cubic s-band model are discussed in detail and are found to converge very slowly to corresponding bulk vacancy results when the defect is moved into the solid. Results for Ga and As vacancies at GaAs surfaces are discussed in connection with recent experimental data.     

Temperature dependence of muon-decay positron channeling in semiconductors

Planar channeling data ofμ ⁺-decay positrons in various semiconductors are reported. Together with the extensive spectroscopic data supplied by transverse μSR, the location of the different states of the hydrogen pseudo-isotopeμ ⁺ e⁻ (muonium) can be identified by means of planar simulations. In high purity silicon as well as in gallium arsenide a thermally activated site transition is observed which can be assigned to a transition between different muonium states.     

Positron annihilation spectroscopy in tomorrow's material defect studies

Positron Annihilation Spectroscopy (PAS), sometimes refered to as Positron Annihilation Lifetime Spectroscopy (PALS), are non-destructive techniques commonly used for defects and voids study in materials. It provides a handy tool for in-depth profiling down to few microns, and in determining open volume defects like dislocation, agglomerates, and vacancies at ppm concentration. PAS with the aid of Doppler broadening has certainly opened a new gateway in the spectroscopy of solid state physics, metals, RO systems, and semiconductors. Since it is an antiparticle of the electron it gives better information on the electron density in the material of interest. The lifetime of a positron is a complex function of electron density present at the annihilation site. To add beauty, in principle PAS gives the type and concentration of the defect independently by a single measurement. This article presents PAS based on the most relevant, most iconic, and most recent references.     

Oxygen reduction reactions in the SOFC cathode of Ag/CeO2

The interactions between oxygen molecules and a silver surface or a CeO₂(111) supported atomic layer of silver are predicted using first-principles calculations based on spin polarized DFT with PAW method. The juncture between the CeO₂(111), the atomic layer of silver, and O₂ represents a triple-phase boundary (TPB) whereas the interface between silver surfaces and O₂ corresponds to a 2-phase boundary (2PB) in a solid oxide fuel cell (SOFC). Results suggest that the O₂ dissociation process on a monolayer of silver supported by CeO₂(111) surfaces (or TPB) with oxygen vacancies has lower reaction barrier than on silver surfaces (or 2PB), and the dissociated oxygen ions can quickly bond with subsurface Ce atom via a barrierless and highly exothermic reaction. The oxygen vacancies at TPB are found to be responsible for the lower energy barrier and high exothermicity because of the strong interaction between subsurface Ce and adspecies, implying that oxygen molecules prefer being reduced at TPB than on silver surfaces (2PB). The results suggest that, for a silver-based cathode in a SOFC, the adsorption and dissociation of oxygen occur rapidly and the most stable surface oxygen species would be the dissociated oxygen ion with − 0.78|e| Bader charges; the rate of oxygen reduction is most likely limited by subsequent processes such as diffusion or incorporation of the oxygen ions into the electrolyte.     

二氧化铈基稀磁氧化物的第一性原理研究

基于第一性原理的计算方法研究了纯CeO_2、Co掺杂CeO_2和同时引入氧空位Vo和Co掺杂的CeO_2稀磁半导体体系.通过计算体系的能带结构和态密度,探讨了该体系磁性产生的机制.计算发现,纯CeO_2体系不具有磁性;没有氧空位Vo的Co掺杂CeO_2体系中,Co离子之间通过O原子发生超交换反铁磁耦合,体系无铁磁性;当氧空位Vo和Co离子同时存在于CeO_2体系中时,Co离子之间通过氧空位Vo发生铁磁耦合,该体系表现出铁磁性能.另外,由氧空位Vo诱导的Co离子之间的铁磁耦合不仅发生在紧邻的两个Co离子,而且可以扩展到几个原子距离的长度.计算结果证明了氧空位Vo诱导铁磁性耦合机制.本文工作将为CeO_2基稀磁半导体体系制备与磁学性质的研究提供支持.     

Resonances in positron-atom scattering

Theoretical studies of atomic resonances involving positrons will be discussed in this talk. Investigations on resonances in positron-hydrogen scattering below various hydrogen and positronium thresholds are reviewed, as well as resonances in positronalkali and e⁺-He⁺ scattering. Resonance phenomena in other atomic systems involving positrons will also be discussed. These systems include positronium ions Ps⁻, positronium molecules Ps₂, and positronium hydride PsH.     

First-principles study of bulk and surface oxygen vacancies in SrTiO<Subscript>3</Subscript> crystal

The structural and electronic properties of the neutral and positively charged oxygen vacancies (F and F⁺ centres) in the bulk and on the (001) surfaces of SrTiO₃ crystal are examined within the hybrid Hartree-Fock and density functional theory (HF-DFT) method based upon the linear combination of atomic orbital (LCAO) approach. A comparison of the formation energy for surface and bulk defects indicates a perceptible propensity for the segregation of neutral and charged vacancies to both SrO and TiO₂ surface terminations with a preference in the latter case which is important for interpretation of space charge effects at ceramic interfaces. It is found that the vacancies reveal more shallow energy levels in the band gap on surfaces rather than in the bulk, in particular, on the TiO₂ surface. The charged F⁺ centre has significantly deeper energy levels both in bulk and on the surfaces, as compared with the neutral F centre.