Effect of dye dopants in poly(methylphenyl silane) light-emitting devices

To investigate the inter-molecular energy transfer between polysilane and dye dopants, poly(methylphenylsilane)(PMPS) was used as a host material and perylene as the blue dopant. The structure of the devices is indium–tin oxide (ITO)/PEDOT:PSS(30 nm)/PMPS:perylene(dye dopant 0.1–1.0 mol%)(60 nm)/Alq₃(20 nm)/LiF(0.5 nm)/Al(100 nm). Poly(3,4-ethylenedioxythiophene) (PEDOT):poly(4-styrenesulfonate) (PSS) is used as a buffer layer, tris(8-hydroxyquinoline)aluminum (Alq₃) as hole transporting layer, LiF as hole injection layer. The device shows a luminance 810 cd/m² at current density of 28 mA/cm², luminous efficiency of 0.14 lm/W. The external quantum efficiency (EQE) is about 0.5% and EQE increased up to 0.52% by doping with single wall carbon nanotubes (SWNT) into the emissive layer. We found an efficient inter-molecular energy transfer from polysilane to dye dopants. Furthermore, using the polysilane and energy-matched dye dopants enable to fabricate the electroluminescence devices through wet processes.     

Defects in the silver halide photographic process

The imaging efficiency of today's photographic film and paper is influenced in a variety of ways. Among them, the incorporation of dopants is widely used to increase efficiency, control contrast or improve imaging deficiencies such as reciprocity law failure. Transition metal-organic ligand dopants are attractive because the organic ligand influences the photographic properties. Experimental studies have shown that many of these dopants incorporate well into the silver halide microcrystal even with large organic ligands. In this paper, experimental and computational results are presented on a variety of Ir-OL dopants in AgCl where OL is a small nitrogen and/or sulfur-containing heterocycle. Electron paramagnetic resonance methods provide information about the electronic structure, electron trapping properties and the stability of the electron trap state. These results are complemented by ab initio studies that give information about the optimum structure, charge compensation and the possibility of electron and hole trapping.     

Atomistic simulation of Mn-site substitution in multiferroic h-YMnO3

Atomistic simulation has been performed to systematically investigate the Mn-site doping of h-YMnO(3) (hexagonal yttrium manganese oxide). It is found that tetravalent dopants are the most energetically favorable for incorporation into a crystal lattice. For divalent dopants, hole compensation is the more likely charge compensation mechanism, whereas for dopants with mixed valence, the divalent state is the energetically preferred form. Structural and local polarization changes caused by Mn-site doping are also investigated. The tilting angle of the MnO(5) trigonal bipyramid is suppressed for all of the dopants investigated, with the reduction dependent on the dopant ion radius, while the influence on buckling is closely related to the valence of the dopants. Our results reveal that both electrostatic and size effects play important roles in the ferroelectric polarization of h-YMnO(3).     

Interacting antiferromagnetic droplets in quantum critical CeCoIn5

The heavy fermion superconductor CeCoIn5 can be tuned between superconducting and antiferromagnetic ground states by hole doping with Cd. Nuclear magnetic resonance data indicate that these two orders coexist microscopically with an ordered moment approximately 0.7 microB. As the ground state evolves, there is no change in the low-frequency spin dynamics in the disordered state. These results suggest that the magnetism emerges locally in the vicinity of the Cd dopants.     

Application of real space Kerker method in simulating gate-all-around nanowire transistors with realistic discrete dopants

We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves efficient convergence by avoiding unrealistic long range charge sloshing but keeping effects from short range charge sloshing. Numerical results show that discrete dopants in the source and drain regions could have a bigger influence on the electrical variability than the usual continuous doping without considering charge sloshing. Few discrete dopants and the narrow geometry create a situation with short range Coulomb screening and oscillations of charge density in real space. The dopants induced quasilocalized defect modes in the source region experience short range oscillations in order to reach the drain end of the device.The charging of the defect modes and the oscillations of the charge density are identified by the simulation of the electron density.     

n型掺杂GaAs中重空穴的飞秒动力学

本文采用fs脉冲饱和吸收光谱技术研究了室温下Si掺杂GaAs在电子激发态处于费密面附近时重空穴的超快弛豫特性。测量到重空穴的热化时间约为300fs,与理论计算结果一致,表明重空穴-光学声子散射是主要的热化途径,并得到光学形变势常数d₀为31eV.     

Spatial structure of an individual Mn acceptor in GaAs

The wave function of a hole bound to an individual Mn acceptor in GaAs is spatially mapped by scanning tunneling microscopy at room temperature and an anisotropic, crosslike shape is observed. The spatial structure is compared with that from an envelope-function, effective mass model and from a tight-binding model. This demonstrates that anisotropy arising from the cubic symmetry of the GaAs crystal produces the crosslike shape for the hole wave function. Thus the coupling between Mn dopants in GaMnAs mediated by such holes will be highly anisotropic.     

新型超导材料MgCNi3的电子结构与超导电性研究

用MS-Xα方法研究了非氧化物超导材料MgCNi₃的电子结构. 研究结果显示, 态密度分布曲线的主峰靠近Fermi面, 主要来自于Ni的d电子的贡献. 用T(T=Co，Mn，Cu)替代MgCNi₃中的部分Ni形成化合物MgCNi₂T，替代使Ni的价电子数减小, 价态发生变化, Fermi面处态密度N(E_F)减小. 计算结果表明：无论是电子掺杂（Cu）还是空穴掺杂（Co，Mn），MgCNi₃的超导电 关键词： 电子结构 态密度 超导电性     

Motional-narrowing-type dephasing of electron and hole spins of itinerant excitons in magnetically doped II-VI bulk semiconductors

Time-resolved optical spin-quantum-beat measurements performed on magnetically doped II-VI bulk semiconductors reveal an increase of the electron spin dephasing time with rising temperature typical for motional narrowing. With the dephasing being notably faster than in undoped II-VI semiconductors, the magnetic dopants must play a key role, modifying the known dephasing mechanisms and introducing new ones. Focusing on the latter, we theoretically explore the spin dephasing channel arising from magnetization fluctuations sampled by the itinerant excitons. This mechanism suffices to explain quantitatively the results of our time-resolved Faraday-rotation experiments on optically excited Cd(1-x)Mn(x)Te which we present here as a function of magnetic field, temperature and manganese dopant density. In addition to electron spin-quantum beats, some of our experiments reveal hole spin beats as well.     

Adsorption of SO2 molecule on doped (8, 0) boron nitride nanotube: A first-principles study

Adsorptions of SO₂ on Al-, Ca-, Co-, Cu-, Ge-, Ni-, and Si-doped (8, 0) boron nitride nanotube (BNNT) have been studied using first-principles approach based on density functional theory in order to exploit their potential applications as SO₂ gas sensors. The electronic properties of the BNNT-molecule adsorption adducts are strongly dependent on the dopants. The most stable adsorption geometries, adsorption energies, charge transfers, and density of states of these systems are thoroughly discussed. This work reveals that the sensitivity of (8, 0) BNNT based chemical gas sensors for SO₂ can be drastically improved by introducing appropriate dopant. Si is found to be the best choice among all the dopants.     

Ab initio modelling of dopants in diamond nanowires: Ii

In this study an analysis is presented of the bonding and structural properties of dehydrogenated and hydrogenated doped cylindrical diamond nanowires calculated using the Vienna Ab Initio Simulation Package, employing density functional theory within the generalized-gradient approximation. The dopants studied here have been inserted substitutionally, equidistant along the axis of an infinite (periodic) diamond nanowire. These dopants include aluminium, phosphorus, oxygen and sulphur. The doped nanowires have then been re-relaxed, and properties compared with previously calculated results for undoped, boron-doped and nitrogen-doped structures. Structural properties of relaxed nanowires considered here include an examination bonding via the electron charge density, with the aim of providing a better understanding of the effects of dopants on the stability of diamond nanostructures and nanodevices.     

Correlating off-stoichiometric doping and nanoscale electronic inhomogeneity in the high-Tc superconductor Bi2Sr2CaCu2O8+delta

A microscopic theory is presented for the observed electronic disorder in superconducting Bi2Sr2CaCu2O8+delta. The essential phenomenology is shown to be consistent with the existence of two types of interstitial oxygen dopants: those serving primarily as charge reservoirs and those close to the apical plane contributing both carriers and electrostatic potential to the CuO2 plane. The nonlinear screening of the latter produces nanoscale variations in the doped hole concentration, leading to electronic inhomogeneity. Based on an unrestricted Gutzwiller approximation of the extended t-J model, we provide a consistent explanation of the correlation between the observed dopant location and the pairing gap and its spatial evolutions. We show that the oxygen dopants are the primary cause of both the pairing gap disorder and the quasiparticle interference pattern.     

Electronic effect of doped oxygen atoms in Bi2201 superconductors determined by scanning tunneling microscopy

Oxygen dopants are essential for tuning the electronic properties of the cuprate superconductors Bi_2Sr_2Ca_(n-1)Cu_nO_(2n+4+δ).Here,we study an optimally doped Bi_2Sr_(2-x)La_xCuO_(6+δ)and an overdoped Bi_(2-y)Pb_ySr_2CuO_(6+δ)by scanning tunneling microscopy and spectroscopy(STM/STS).Based on the characteristic features of local STS,three forms of oxygen dopants are identified:interstitial oxygen atoms on the SrO layers,oxygen vacancies on the SrO layers,and interstitial oxygen atoms on the BiO layers.In both samples,the first form dominates the number of oxygen dopants.From the extracted spatial distribution of the oxygen dopants,we calculate the dopant concentrations and estimate the average hole carrier density.The magnitudes of the electronic pseudogap state in both samples are inhomogeneously distributed in space.The statistical analysis on the spatial distributions of the oxygen dopants and the pseudogap magnitude demonstrates that the doped oxygen atoms on the SrO layers tend to suppress the nearby pseudogap magnitude.     

Limits on passivating defects in semiconductors: the case of Si edge dislocations

By minimizing the free energy while constraining dopant density, we derive a universal curve that relates the formation energy (E(form)) of doping and the efficiency of defect passivation in terms of segregation of dopants at defect sites. The universal curve takes the simple form of a Fermi-Dirac distribution. Our imposed constraint defines a chemical potential that assumes the role of "Fermi energy," which sets the thermodynamic limit on the E(form) required to overcome the effect of entropy such that dopant segregation at defects in semiconductors can occur. Using Si edge dislocation as an example, we show by first-principles calculations how to map the experimentally measurable passivation efficiency to our calculated E(form) by using the universal curve for typical n- and p-type substitutional dopants. We show that n-type dopants are ineffective. Among p-type dopants, B can satisfy the thermodynamic limit while improving electronic properties.     

Molecular orbital study of germanium,germanium-gallium and germanium-arsenic clusters

The quasirelativistic INDO/1 method has been used to generate molecular orbitals for some {Ge _x }, doped {Ge _x Ga _y } and {Ge _x As _y } clusters. These one-electron energy levels predefine the density of states (DOS) and/or hole functions. The effect of the cluster size (x=24, 56, 92) and that of dopants on the DOS profiles are discussed. The calculations are compared with those generated by periodic crystal orbitals of the EHT quality.     

Nonlinear energy-selective nanoscale modifications of materials and dynamics in metals and semiconductors

Studies of nonlinear, energy-selective material interactions localized at surfaces, heterointerfaces, impurities, and defects in solids are described. Particular reference is made to a new molecular interaction effect caused by transfer of surface energy by low-energy collisions, a new noncontact nonlinear optical method of studying electron and hole dynamics at a heterointerface, and a new approach using a free-electron laser developed at Vanderbilt University to activate hydrogen-passivated dopants in silicon. In each case the unique characteristics of particle and photon beams, optimized for the technology, were used to extend the range of applications of these new energy-selective techniques to solve fundamental and applied problems. Zh. Tekh. Fiz. 69, 76–80 (September 1999)     

非金属与金属原子共掺杂石墨烯体系的气敏特性研究

采用基于密度泛函理论的第一性原理方法研究了非金属N原子和金属原子(M=Mo,Al,Co,Fe,Au和Pt)共掺杂石墨烯体系(M-GN4)的电子结构和表面活性.研究发现:单个金属原子掺杂的GN4体系表现出不同的稳定性,相比掺杂的Au原子,其它的金属原子都具有很高的稳定性( 6. 0 e V).掺杂的金属原子失去电荷显正电性将有助于调控气体分子的吸附特性. Mo-GN4和Al-GN4衬底对吸附的O_2表现出较高的灵敏性,单个CO和O_2分子在Co-GN4和Fe-GN4衬底的吸附能差别较小.此外,吸附不同的气体分子能够有效地调控M-GN4体系的电子结构和磁性变化.     

Thermodynamical quantities around a RNAdS black hole

The entropy density, energy density, pressure and equation of state around the RNAdS black hole are calculated in the WKB approximation on the Teukolsky-type master equation. The appearance of spin-dependent terms is demonstrated. The existence of these terms shows that the black hole radiation is not exactly thermal radiation and the black hole entropy is not strictly proportional to the area of the event horizon.     

Quantum Hall effect in back-gated InAs/GaSb heterostructures under a tilted magnetic field

We investigate the quantum Hall effect (QHE) in the InAs/GaSb hybridized electron–hole system grown on a conductive InAs substrate which act as a back-gate. In these samples, the electron density is constant and the hole density is controlled by the gate-voltage. Under a magnetic field perpendicular to the sample plane, the QHE appears along integer Landau-level (LL) filling factors of the net-carriers, where the net-carrier density is the difference between the electron and hole densities. In addition, longitudinal resistance maxima corresponding to the crossing of the extended states of the original electron and hole LLs make the QHE regions along integer-ν_net discontinuous. Under tilted magnetic fields, these R_xx maxima disappear in the high magnetic field region. The results show that the in-plane magnetic field component enhances the electron–hole hybridization and the formation of minigaps at LL crossings.     

Differences between ruby and Nd:YAG laser annealing of ion implanted silicon

It is shown that the threshold power density for laser-induced epitaxial recrystallization of 2100 Å thick amorphous silicon layers, produced by implantation of As, Sb, Sn and Ga ions, depends on the type and dose of dopants when the 1.06 μm radiation of a pulsed scanned Nd:YAG laser is used and that it is independent of these parameters for the 0.69 μm radiation of a single-pulse ruby laser.