XPS-valence bands of iron,cobalt, palladium and platinum

XPS valence band spectra of iron, cobalt, palladium and platinum are reported. They show good agreement with theoretical density of states curves that have been corrected for instrumental resolution, electron-hole interaction, matrix element modulation, lifetime of the photohole and inelastic electron electron scattering.     

Two-carrier transition in radiative recombination of two-dimensional electrons in GaAs/AlGaAs

We observed photoluminescence (PL) and photoluminescence excitation (PLE) spectra due to shake-up processes of recombination of two-dimensional electrons and free excitons in a modulation-doped GaAs quantum well at He temperatures. One of the processes is that when an electron recombines with a hole, another electron is excited from the conduction band in GaAs to that in AlGaAs. The other process is that a hole is excited from an acceptor level or the valence band in GaAs to the valence band in AlGaAs during recombination. The electron process is observed in both PL and PLE spectra while the hole process only in the PL spectra. The excitation-intensity dependence of the peak intensity of hole-excited PL is almost quadratic, indicating three-carrier process in the shake-up process. The band offsets of the conduction and valence bands are estimated to be 220 and 146 meV, respectively.     

Relaxation of femtosecond photoexcited electrons in a polar indirect band-gap semiconductor nanoparticle

A model calculation is given for the energy relaxation of a non-equilibrium distribution of hot electrons (holes) prepared in the conduction (valence) band of a polar indirect band-gap semiconductor, which has been subjected to homogeneous photoexcitation by a femtosecond laser pulse. The model assumes that the pulsed photoexcitation creates two distinct but spatially interpenetrating electron and hole non-equilibrium subsystems that initially relax non-radiatively through the electron (hole)-phonon processes towards the conduction (valence) band minimum (maximum), and finally radiatively through the phonon-assisted electron-hole recombination across the band-gap, which is a relatively slow process. This leads to an accumulation of electrons (holes) at the conduction (valence) band minimum (maximum). The resulting peaking of the carrier density and the entire evolution of the hot electron (hole) distribution has been calculated. The latter may be time resolved by a pump-probe study. The model is particularly applicable to a divided (nanometric) polar indirect band-gap semiconductor with a low carrier concentration and strong electron-phonon coupling, where the usual two-temperature model [1-4] may not be appropriate.     

Many body effects and internal transitions of confined excitons in GaAs and CdTe quantum wells

Many body effects contribute significantly to the energy states of electron-hole pairs confined in quantum wells in the presence of excess electrons. We present results of optically detected resonance spectroscopy of the internal transitions of photo-excited electron-hole pairs in the presence of excess electrons for GaAs QWs and CdTe QWs. Compared to the case of isolated negatively charged excitons, excess electrons produce a large blue shift of the internal transitions in modulation-doped GaAs quantum wells (QWs) for filling factor <2, and similar effects are found in CdTe QWs. For filling factor >2 no internal transitions are observed. These measurements demonstrate the strong effects of electron-electron correlations on the internal transitions of charged excitons in these quasi-2D systems and the importance of magnetic translation invariance. In the presence of excess electrons, the observed internal transitions are those of a magnetoplasmon bound to a mobile valence band hole.     

GaAs/AlGaAs超晶格的光致发光

在室温下测量了GaAs/A l0.3Ga0.7As超晶格的光致发光,发现在波长λ=761 nm处存在一较强的发光光峰,此发光峰目前尚未见报道。经理论分析表明,此峰是量子阱中的第一激发态电子与受主空穴复合发光。实验还观测到在λ=786 nm处,λ=798 nm处和λ=824 nm处分别存在一发光峰,分析表明λ=786 nm处的发光峰为量子阱阱中费米能级附近的电子与轻空穴复合发光;λ=798 nm处的发光峰为量子阱内的基态电子到轻空穴的复合发光;λ=824 nm处的发光峰为阱中激子复合复合发光。理论计算与实验结果符合的很好。     

B与N掺杂对单层石墨纳米带自旋极化输运的影响

通过第一性原理计算研究了具有锯齿状边沿并且具有反铁磁构型的单层石墨纳米带的自旋极化输运.研究发现,在中心散射区同一位置掺入单个B和N原子,尽管对整个体系磁矩的影响完全相同,但对两个自旋分量电流的影响却完全相反.掺B时,自旋向上的电流显著大于自旋向下的电流;而掺N时,自旋向下的电流显著大于自旋向上的电流.这是由于不管掺B还是掺N都将打破自旋简并,使得导带和价带中自旋向上的能级比自旋向下的能级更高.掺B引入空穴,使完全占据的价带变为部分占据,从而自旋向上的能级正好处于费米能级,使得电子透射能力更强、电流更大,而自旋向下的能级则离费米能级较远使电子透射的能力较弱.掺N则引入电子,使得原来全空的导带变为部分占据,从而费米能级穿过导带中自旋向下的能级,使得自旋向下的电子比自旋向上的电子透射能力更强. 关键词： 自旋极化输运 单层石墨纳米带 第一性原理 非平衡格林函数     

Threshold and probability of impact ionization by electrons in narrow-gap p-type semiconductors with highly degenerate holes

The process of electron-initiated impact ionization of states in the heavy-hole band is investigated theoretically for a p-type narrow-gap semiconductor with energy bands governed by the Kane dispersion law, subject to the condition that the Fermi level of the holes lies in the valence band. The dependence of the minimum electron energy for ionization of a state at the Fermi level in the valence band on the heavy-hole Fermi momentum is determined. The probability of impact ionization for electrons with near-threshold energies is calculated for the case in which the heavy-hole Fermi momentum exceeds the hole threshold momentum for the given ionization process. Relations between the temperatures of holes and electrons with energies of the order of the threshold value are found, thereby establishing the validity domain of the final results. Fiz. Tverd. Tela (St. Petersburg) 39, 275–279 (February 1997)     

Two types of fundamental luminescence of ionization-passive electrons and holes in optical dielectrics—Intraband-electron and interband-hole luminescence (theoretical calculation and comparison with experiment)

A short high-power pulse of ionizing radiation creates a high concentration of nonequilibrium electrons and holes in a dielectric. They quickly lose their energy, generating a multiplicity of secondary quasiparticles: electron—hole pairs, excitons, plasmons, phonons of all types, and others. When the kinetic energy of an electron becomes less that some value E_Δ≈(1.3-2)E_g it loses the ability to perform collisional ionization and electron excitations of the dielectric medium. Such an electron is said to be ionization-passive. It relaxes to the bottom of the lower conduction band by emitting phonons. Similarly a hole becomes ionization-passive when it “floats up” above some level E_H and loses the ability for Auger ionization of the dielectric medium. It continues to float upward to the ceiling of the upper valance band only by emitting phonons. The concentrations of ionization-passive electrons and holes are larger by several orders of magnitude than those of the active electrons and holes and consequently make of a far larger contribution to many kinetic processes such as luminescence. Intraband and interband quantum transitions make the greatest contribution to the fundamental (independent of impurities and intrinsic defects) electromagnetic radiation of ionization-passive electrons and holes. Consequently the brightest types of purely fundamental luminescence of strongly nonequilibrium electrons and holes are intraband and interband luminescence. These forms of luminescence, discovered relatively recently, carry valuable information on the high-energy states of the electrons in the conduction band and of the holes in the valence band of a dielectric. Experimental investigations of these types of luminescence were made, mainly on alkali halide crystals which were excited by nanoseconal pulses of high-current-density electrons and by two-photon absorption of the ultraviolet harmonics of pulsed laser radiation beams of nanosecond and picosecond duration. The present article gives the results of theoretical calculations of the spectra and other characteristics of intraband electron and interband hole luminescence which are compared with the experimental data. Institute of High-Current Electronics, Sibrian Branch of the Russian Academy of Sciences, Polytechnic University, Tomsk. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 13–41, November, 1997.     

An algorithm for unified analysis on the thermoluminescence glow curve

An algorithm was developed to integrally handle excitation by radiation, relaxation and luminescence by thermal or optical stimulation in thermoluminescence (TL) and optically stimulated luminescence (OSL) processes. This algorithm reflects the mutual interaction between traps through a conduction band. Electrons and holes are created by radiation in the beginning, and these electrons move to the trap through the conduction band. These holes move to the recombination center through a valence band. The ratio of the electrons allocated to each trap differs with the recombination probability and these values also relevant to the process of luminescence. Accordingly, the glow curve can be interpreted by taking the rate of electron–hole pairs created by ionizing radiation as a unique initial condition. This method differs from the conventional method of interpreting the measured glow curve with the initial electron concentration allocated to each trap at the end of irradiation. A program using the Visual Studio's C# subsystem was made to realize such a developed algorithm. To verify this algorithm it was applied to LiF:Mg,Cu,Si. The TL glow curve was deconvoluted with a model of five traps, one deep trap and one recombination center (RC).     

Resonant Raman scattering of discrete hole states in self-assembled Si/Ge quantum dots

We report the first resonant electronic Raman spectroscopy study of discrete electronic transitions within small p-doped self-assembled Si/Ge quantum dots (QDs). A heavy hole (hh) to light hole (lh) Raman transition with a dispersionless energy of 105 meV and a resonance energy of the hh states to virtually localised electrons at the direct band gap of 2.5 eV are observed. The hh–lh transition energy shifts to lower values with increasing annealing temperature due to significant intermixing of Si and Ge in the QDs. Structural parameters of the small Si/Ge dots have been determined and introduced into 6-band k·p valence band structure calculations. Both the value of the electronic Raman transition of localised holes as well as the resonance energy at the E₀ gap are in excellent agreement with the calculations.     

Density of states modifications in amorphous and hydrogenated amorphous germanium and their effect on 3d core levels binding energy

By using photoemission and partial yield spectroscopies the conduction band edge, the valence band and the 3d core levels of amorphous germanium hydrogenated and nonhydrogenated are studied and compared to that of crystalline Ge. We measure a 0.25 eV shift of the 3d core levels of amorphous Ge as compared to crystalline Ge whereas a smaller shift and a slight line - broadening are found in hydrogenated amorphous samples with low H content. These results are discussed in term of the contribution to the self-energy due to relaxation of the valence electrons when a core hole is created.     

Mg掺杂CdSe电子结构和光学性质的第一性原理

采用基于密度泛函理论的第一性原理平面波超软赝势法,计算了纤锌矿结构Cd1-xMgxSe(x=0,0.125,0.250,0.375)的电子结构和光学性质。结果表明,不同系统的价带顶都主要由Se4p态决定,其位置基本不变;导带底由Se4 s态和Cd5 s共同决定,并且随着掺杂浓度的增加向高能区移动,结果使得带隙展宽,由此使得系统介电函数虚部的峰值和折射率实部的峰值随掺杂浓度的增大而蓝移,计算结果与实验符合。     

微波吸收法研究ZnO光电子衰减过程

微波吸收无接触测量技术可以用于半导体粉体材料、微晶材料等研究光生载流子衰减过程。本文采用微波吸收法在室温下分别测量了ZnO纳米材料和微晶材料的光电子衰减过程。发现在紫外激光短脉冲激发下,两种材料的导带光电子寿命有很大的差异,ZnO微晶粉体材料的光电子寿命为50ns,而ZnO纳米材料的光电子寿命仅为10ns。分析认为纳米ZnO的光电子寿命缩短是由于纳米ZnO晶体的表面积远远大于体材料的表面积,纳米材料的表面形成了大量的缺陷能级,加速了光电子的表面复合,缩短了光电子的寿命。纳米材料内部缺陷增多和量子限域效应同样会缩短光电子的寿命。     

Si–Si bond as a deep trap for electrons and holes in silicon nitride

A two-stage model of the capture of electrons and holes in traps in amorphous silicon nitride Si₃N₄ has been proposed. The electronic structure of a “Si–Si bond” intrinsic defect in Si₃N₄ has been calculated in the tight-binding approximation without fitting parameters. The properties of the Si–Si bond such as a giant cross section for capture of electrons and holes and a giant lifetime of trapped carriers have been explained. It has been shown that the Si–Si bond in the neutral state gives shallow levels near the bottom of the conduction band and the top of the valence band, which have a large cross section for capture. The capture of an electron or a hole on this bond is accompanied by the shift of shallow levels by 1.4–1.5 eV to the band gap owing to the polaron effect and a change in the localization region of valence electrons of atoms of the Si–Si bond. The calculations have been proposed with a new method for parameterizing the matrix elements of the tightbinding Hamiltonian taking into account a change in the localization region of valence electrons of an isolated atom incorporated into a solid.     

Mapping out electron-electron interactions at surfaces

Using a high resolution coincidence technique, we measured for the first time the angular and energy correlation of an electron pair emitted from the valence band of a single crystal upon the impact of an electron with a specified momentum. We observe a hole in the measured two-particle correlation function when the two excited electrons have comparable momentum vectors, a fact traced back to exchange and repulsion among the electrons. We find the hole is not isotropic, has a finite extension, and is strongly suppressed when decoherence is operating.     

Numerical simulation of the temperature dependence of the ionization energy of hydrogen-like impurities in semiconductors: Application to transmutation-doped Ge: Ga

An electrostatic model describing the dependence of the thermal ionization energy of impurities on their concentration, compensation factor, and temperature is developed. The model takes into account the screening of impurity ions by holes (electrons) hopping from impurity to impurity, the change in the impurity-band width, and its displacement with respect to the edge of the valence band for acceptors (conduction band for donors). The displacement of the impurity band is due to the functional dependence of the hole (electron) affinity of the ionized acceptor (donor) on the screening of the Coulomb field of the ions. The spatial distribution of the impurity ions over the crystal was assumed to be Poisson-like, and the energy distribution was assumed to be normal (Gaussian). For the relatively low doping levels under investigation, the behavior of the density of states at the edges of the valence and conduction bands was assumed to be the same as for the undoped crystal. The results of the numerical study are in agreement with the decrease in the ionization energy that is experimentally observed for moderately compensated Ge: Ga as the temperature and the doping level are decreased. It is predicted that the temperature dependence of the thermal ionization energy has a small anomalous maximum at small compensation factors.     

Acceptor levels in indium selenide. An investigation by means of the Hall effect,deep-level-transient spectroscopy and photoluminescence

Acceptor levels related to I, II, IV, and V group impurities in indium selenide are studied by means of the Hall effect, deep-level-transient spectroscopy (DLTS) and photoluminescence. Activation energies for hole concentrations in the range from 200 to 300 meV have been measured. A reversible change of sign of the Hall voltage has been observed below 215 K. This behaviour can be explained through a model in which acceptor levels are assumed to be shallow and interlayer planar precipitates of ionized shallow donors create potential wells that behave as deep donors and in which a low concentration of bidimensional free electrons can exist. This model also explains the capacitance-voltage characteristics of both ITO/p-InSe and Au/p-InSe barriers. DLTS results are coherent with this model: hole traps in high concentration located about 570 meV above the valence band are detected. Photoluminescence also confirms the shallow character of acceptor levels. A broad band whose intensity is related to p conductivity appears in the PL spectra of low resistivity p-InSe. The shape and temperature dependence of this band can be explained through self-activated photoluminescence in a complex center in which the ground acceptor level must be at about 50 meV above the valence band.     

Molecular electronic distribution functions and correlation holes Theory and application to H2, LiH and BH

The one-electron density functions for the diatomic hydrides H₂, LiH and BH, defined with respect to a limited STO basis set, are partially integrated to yield longitudinal and transverse distribution functions which admit of a simple pictorial representation. The maxima in the longitudinal distribution functions occur in regions conventionally ascribed to core pairs, lone pairs or bond pairs.

The correlation between pairs of electrons of given spin is then analysed in terms of the analogous partially integrated pair density functions and in terms of the associated hole functions. In the case of LiH and BH, the Fermi hole functions are similar in form to the negatives of the one-electron distribution functions for the appropriate singly occupied molecular orbitals; but the differences between the two functions are more marked in BH, where there is increased spatial interpenetration of the valence electron pairs. The results also show, in a simple way, how the electron motion is over-correlated in H₂ when the Heitler-London wavefunction is used.     

Photoelectric spectroscopy of oxide states with MOS structures atT=79 K

AtT=79 K illumination effects with visible and UV light on the drain current were studied forn-channel enhancement-type MOS transistors. The results show that the response of photoelectric measurements is due to electron excitation from oxide states into the silicon surface layer (positive changes of drain current). The oxide states lying near the bottom of the silicon dioxide conduction band are distributed in energy. Oxide states having captured a hole can be discharged by electrons excited from the silicon conduction or valence band (negative changes of drain current) in combination with a tunneling process.     

Excitation spectra of donor-acceptor pair photoluminescence in ZnTe

Photoluminescence excitation spectra of donor-acceptor pairs have been observed in phosphorus doped ZnTe. Binding energies of the donor and the acceptor is estimated from the spectra. Emission spectra measured under below-band-gap excitation showed sharp bands superimposed with a broad emission band. The result indicates the existence of two decay processes under the below-band-gap excitation: (1) recombination of an electron and a hole trapped on a given D-A pair, and (2) recombination of D-A pairs with various distances for which bound electrons are formed via conduction band.