Side bands of the vibrational spectrum of interstitial elements in a metal lattice

The dynamics of oxygen atoms in Ta-O solid solution has been studied by the slow-neutron inelastic scattering method. Indications have been obtained for the existence of vibration-rotation excitations of an interstitial atom in a metal lattice. In addition to the peaks corresponding to the fundamental oscillations of a harmonic oscillator (?ω_1,2 ≈ 42 meV and ?ω₃ ≈ 82 meV), side bands with an energy of ? ≈ ?ω₃ ± 6 meV are observed in the atomic oxygen spectrum. Analysis of the spectral structure leads to the assumption that the observed satellites are attributed to vibration-rotation excitations of an impurity oxygen atom in the field of metal atoms surrounding it. The oxygen atom is probably displaced in the basal plane from the center of the octahedral interstice of the crystal lattice and can freely move along a slightly corrugated energy channel around the geometric center of the octahedron. The energy position of the side bands are in good agreement with the excitation energies estimated in the model of the superposition of two circular motions of the oxygen atom in the basal plane of the tantalum lattice near the center of the octahedral interstice.     

X-ray Photoelectron Spectroscopy of silicon oxynitride layers obtained by low-energy ion implantation

Simultaneous oxygen and nitrogen low-energy ion implantation in silicon single crystals have been used to obtain surface layers of silicon oxynitride. In-depth concentration profiles, measured by XPS, showed all the possible tetrahedral configurations of silicon with the neighboring atoms. The most important feature of these profiles has been found to be the accumulation of a so-called Si³⁺ state just below the surface and about 20 nm deep. This amphoteric state has interesting properties for impurity passivation or electron trapping.     

含顺磁杂质超导体中的束缚态

本文利用广义正则变换和自洽场方法,讨论了单个杂质对超导体的影响。证明在磁性杂质附近,可能形成一个束缚态的元激发,其能量位于能隙之中。求出了能级和波函数的解析表达式,并计算了束缚能级所引起的附加电磁吸收。讨论了与此有关的隧道和高频吸收实验。此外,还讨论了非磁性杂质对连续谱元激发的影响及杂质附近能隙的变化。     

Spin- and charge density perturbations and short-range order in Fe–Cu and Fe–Zn BCC alloys: A Mössbauer study

A model used to describe the ⁵⁷Fe Mössbauer spectra for the binary BCC iron alloys rich in iron has been extended to account for the alloy crystallographic ordering. The ordering is accounted for by introducing single order parameter. Extension of the model is described in detail. The model has been tested applying it to the Fe–Cu alloys obtained by the arc melting and to the Fe–Zn alloys prepared by the solid state reaction. Random alloys are obtained up to ∼2 at% of Cu, and up to ∼8 at% of Zn. For higher impurity (minor alloy component) concentration it has been found that Cu atoms try to avoid Fe atoms in the iron matrix as nearest neighbors, while the opposite happens to the Zn atoms, albeit at much lesser scale, i.e., Zn–Zn interactions are much weaker than Fe–Zn interactions at the nearest neighbor distance. Perturbations to the iron magnetic hyperfine field (spin density) and electron (charge) density on the iron nucleus have been obtained for both series of alloys versus impurity concentration.     

Electronic structures,magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2

Utilizing first-principles calculations, the electronic structures, magnetic properties and band alignments of monolayer MoS₂ doped by 3d transition metal atoms have been investigated. It is found that in V, Cr, Mn, Fe-doped monolayers, the nearest neighboring S atoms (S_NN) are antiferromagnetically polarized with the doped atoms. While in Co, Ni, Cu, Zn-doped systems, the S_NN are ferromagnetically coupled with the doped atoms. Moreover, the nearest neighboring Mo atoms also demonstrate spin polarization. Compared with pristine monolayer MoS₂, little change is found for the band edges' positions in the doped systems. The Fermi level is located in the spin-polarized impurity bands, implying a half-metallic state. These results provide fundamental insights for doped monolayer MoS₂ applying in spintronic, optoelectronic and electronic devices.     

替位杂质对低能Pt原子与Pt(111)表面相互作用影响的分子动力学模拟

采用嵌入原子方法的原子间相互作用势，通过分子动力学方法模拟了低能Pt原子与Cu，Ag，Au，Ni，Pd替位掺杂Pt(111)表面的相互作用过程，系统研究了替位原子对表面吸附原子产额、溅射产额和空位缺陷产额的影响规律，分析了低能沉积过程中沉积原子与基体表面的相互作用机理以及替位原子的作用及其影响规律.研究结果显示：替位原子的存在不仅影响着沉积能量较低时的表面吸附原子的产额与空间分布，而且对沉积能量较高时的低能表面溅射过程和基体表面空位的形成产生重要影响.替位原子导致的表面吸附原子产额、表面原子溅射以及空位形 关键词： 分子动力学 低能粒子 替位掺杂 表面原子产额 溅射 空位     

Electron-stimulated desorption of potassium and cesium atoms from oxidized molybdenum surfaces

The electron-stimulated desorption (ESD) yields and energy distributions for potassium (K) and cesium (Cs) atoms have been measured from K and Cs layers adsorbed at 300 K on oxidized molybdenum surfaces with various degrees of oxidation. The measurements were carried out using a time-of-flight method and surface ionization detector. The ESD appearance threshold for K and Cs atoms is independent of the molybdenum oxidation state and is close to the oxygen 2s level ionization energy of 25 eV. Additional thresholds for both K and Cs atoms are observed at about 40 and 70 eV in ESD from layers adsorbed on an oxygen monolayer-covered molybdenum surface; they are associated with resonance processes involving Mo 4p and 4s excitations. The ESD energy distributions for K and Cs atoms consist of single peaks. The most probable kinetic energy of atoms decreases in going from cesium to potassium and with increasing adsorbed metal concentration; it lies in the energy range around 0.35 eV. The K and Cs atom ESD energy distributions from adlayers on an oxygen monolayer-covered molybdenum surface are extended toward very low kinetic energies. The data can be interpreted by means of the Auger stimulated desorption model, in which neutralization of adsorbed alkali-metal ions occurs after filling of holes created by incident electrons in the O 2s, Mo 4s or Mo 4p levels.     

Edge excitations and non-Abelian statistics in the moore-read state: A numerical study in the presence of coulomb interaction and edge confinement

We study the ground state and low-energy excitations of fractional quantum Hall systems on a disk at a filling fraction nu = 5/2, with Coulomb interaction and a background confining potential. We find the Moore-Read ground state is stable within a finite but narrow window in parameter space. The corresponding low-energy excitations contain a fermionic branch and a bosonic branch, with widely different velocities. A short-range repulsive potential can stabilize a charge +e/4 quasihole at the center, leading to a different edge excitation spectrum due to the change of boundary conditions for Majorana fermions, clearly indicating the non-Abelian nature of the quasihole.     

Massless Electronic Excitations in Graphene Near Coulomb Impurities

Journal of Experimental and Theoretical Physics - We study low-energy massless electronic excitations in a graphene monolayer near a pointlike Coulomb impurity. We assume that such excitations are...     

Effect of intersite coulomb interaction on the electronic structure of the emery model

The low-energy spectrum of Fermi excitations of the three-band Emergy model has been calculated taking into account the intersite interaction. It is shown that the Coulomb interaction between oxygen and copper holes significantly renormalizes the spectrum of lower band Fermi excitations and modifies the concentration dependence of the chemical potential on the doping level.     

First-principle study of magnetism in Co-doped SnO2

The effects of Co dopants and oxygen vacancies on the electronic structure and magnetic properties of the Co-doped SnO₂ are studied by the first-principle calculations in full-potential linearized augmented plane wave formalism within generalized gradient approximations. The Co atoms favorably substitute on neighboring sites of the metal sublattice. Without oxygen vacancies, the Co atoms are at low spin state independent of concentration and distribution of Co atoms, and only the magnetic coupling between nearest-neighbor Co atoms is ferromagnetic through direct exchange and super-exchange interaction. Oxygen vacancies tend to locate near the Co atoms. Their presence strongly increases the local magnetic moments of Co atoms, which depend sensitively on the concentration and distribution of Co atoms. Moreover, oxygen vacancies can induce the long-range ferromagnetic coupling between well-separated Co atoms through the spin-split impurity band exchange mechanism. Thus the room temperature ferromagnetism observed experimentally in the Co-doped SnO₂ may originate from the combination of short-range direct exchange and super-exchange interaction and the long-range spin-split impurity band exchange model.     

Two-stage melting in systems of strongly interacting Rydberg atoms

We analyze the ground state properties of a one-dimensional cold atomic system in a lattice, where Rydberg excitations are created by an external laser drive. In the classical limit, the ground state is characterized by a complete devil's staircase for the commensurate solid structures of Rydberg excitations. Using perturbation theory and a mapping onto an effective low-energy Hamiltonian, we find a transition of these commensurate solids into a floating solid with algebraic correlations. For stronger quantum fluctuations the floating solid eventually melts within a second quantum phase transition and the ground state becomes paramagnetic.     

硅纳米结构晶体管中与杂质量子点相关的量子输运

在小于10 nm的沟道空间中,杂质数目和杂质波动范围变得十分有限,这对器件性能有很大的影响.局域纳米空间中的电离杂质还能够展现出量子点特性,为电荷输运提供两个分立的杂质能级.利用杂质原子作为量子输运构件的硅纳米结构晶体管有望成为未来量子计算电路的基本组成器件.本文结合安德森定域化理论和Hubbard带模型对单个、分立和耦合杂质原子系统中的量子输运特性进行了综述,系统介绍了提升杂质原子晶体管工作温度的方法.     

多金属氧酸盐TBA3[VW5O19]及TBA4[PVW11O40]的固体核磁共振研究

多金属氧酸盐（简称多酸,Polyoxometalates,POMs)是由处于d⁰电子构型的前过渡金属元素通过共边或共角缩聚而成的金属-氧簇类化合物．由于其具有丰富的分子结构和独特的物理化学性质,已经被广泛应用于功能材料、催化化学和药物化学等领域．其中钒取代的多酸阴离子具有很好的催化活性,特别是对烃类的氧化,它的活性主要受钒取代的数目和钒中心的阴离子环境这两个因素影响．该文利用固体核磁技术分析了一取代钒的两类典型结构中⁵¹V的局域结构和化学环境,以及有机阳离子对多酸阴离子结构的影响,特别是对⁵¹V的化学环境的影响,为研究多酸的催化活性和催化机理提供基本的结构信息．     

Observation of structural relaxations in disordered solid media via spectral histories of single impurity molecules

This paper presents the technique and results of the investigation of the structural relaxation in disordered solid media (polyisobutylene, toluene, ortho-dichlorobenzene) at temperatures below the glass transition point via the spectra and fluorescence images of single impurity fluorescent molecules (terrylene, tetra-tert-butylterrylene). Application of the thermal-cycling method has made it possible to significantly extend the temperature range of investigation (from 4.5 K to the glass transition temperature). The changes observed in individual parameters of low-energy elementary excitations of the tunneling and vibrational types due to structural relaxation processes have been studied. It has been found that there is a spatial inhomogeneity in the distribution of the activation temperatures of local relaxation processes.     

Influence of Dislocation Pinning on the Creep Rate in Aluminum

The influence of the dislocation mobility on the creep rate in aluminum has been estimated. In a steady state of creep, the dislocation mobility is varied by pinning dislocations using impurity atoms during heating. It has been shown that the change in the creep rate is proportional to the fraction of impurity atoms that migrate from the solid solution of deformed aluminum toward the dislocations.     

Amplitude mode in the quantum phase model

We derive the collective low-energy excitations of the quantum phase model of interacting lattice bosons within the superfluid state using a dynamical variational approach. We recover the well-known sound (or Goldstone) mode and derive a gapped (Higgs-type) mode that was overlooked in previous studies of the quantum phase model. This mode is relevant to ultracold atoms in a strong optical lattice potential. We predict the signature of the gapped mode in lattice modulation experiments and show how it evolves with increasing interaction strength.     

Thermodynamics of the superfluid dilute bose gas with disorder

We generalize the Beliaev-Popov diagrammatic technique for the problem of interacting dilute Bose gas with weak disorder. Averaging over disorder is implemented by the replica method. The low-energy asymptotic form of the Green function confirms that the low-energy excitations of the superfluid dirty-boson system are sound waves with velocity renormalized by the disorder and additional dissipation due to the impurity scattering. We find the thermodynamic potential and the superfluid density at any temperature below the superfluid transition temperature (but outside the Ginzburg region) and derive the phase diagram in temperature vs disorder plane.     

Magnetic moment of iron atoms in Fe-Al body-centered cubic alloys as a function of the nearest environment

The Fe-Al systems in the concentration range from 29 to 44 at. % Al are investigated in terms of the density functional theory. It is shown that, in the system under consideration, there can exist three magnetic states with close energies. Two of these three magnetic states have collinear magnetic moments (the ferromagnetic and antiferromagnetic states), and the third is a spin-spiral state. In collinear magnetic structures, the local magnetic moments are determined by the nearest chemical environment and, in the antiferromagnetic state, the iron atoms surrounded by a large number of aluminum atoms in their environment have a negative magnetic moment. The results obtained substantiate the applicability of modified models of the Jaccarino-Walker type for the interpretation of the experimental data obtained for Fe-Al alloys. The results of the calculations also indicate a significant role of Stoner excitations in the formation of magnetic order in these alloys.