Photoluminescence of Mn doped epitaxial GaAs

We have measured the near band edge photoluminescence of Mn doped liquid phase epitaxially grown GaAs. The photoluminescence spectra at 2°K shows, at low excitation intensities, a structure of up to eight sharp peaks (widths .2 to 1.0 meV) between 1.517 and 1.512 eV, besides the lower energy bands near 1.41 eV due to the deep Mn acceptor level and the usual donor-acceptor bands around 1.47 eV. Attempts to relate the sharp lines to the Mn electronic states, introduced by doping, were unsuccessful. It is our belief that the presence of this particular impurity in our samples allows for whatever states are responsible for the sharp line structure, to reveal themselves in the emission spectrum. A most unespected result is that near band edge sharp line luminescence is observed for impurity concentration as high as 10¹⁸cm^-3.     

Dependence of optical properties of monoclinic MnWO4 on the electric field of incident light

Considering the electric field of incident light along four particular directions [100], [110], [011], and [010], the optical properties of monoclinic MnWO₄ were investigated by the first-principle methods. The calculated electronic structures show that the O 2p states and Mn 3d states dominate the top of the valence bands, while the W 5d and Mn 3d states play a key role in the bottom of the conduction bands. The dielectric function and other optical properties, including absorption coefficient, reflectivity spectra, and energy-loss spectra, were calculated and analyzed. The results predicted the maximum static dielectric function when the electric field of incident light was along the [100] direction; meanwhile the absorption edge was calculated to be consistent with the energy band gap and the values and positions of peaks in absorption coefficient are related with the electric field of light. Otherwise, it is found that the appearance of peaks in the energy-loss spectra is also dependent on the electric field and simultaneously corresponds to the edge of absorption spectra and the peaks' position of reflectivity spectra.     

Linearly polarized terahertz radiation in uniaxially deformed Ge(Ga) upon the electric breakdown of an impurity

The polarization spectra of spontaneous terahertz radiation in uniaxially deformed germanium have been measured upon the electric breakdown of shallow acceptors. Lines with various degrees of polarization with respect to the compression axis have been observed in the radiation spectrum. These lines are associated with the optical transitions of holes between the excited and ground states of the acceptor, as well as with the transitions of holes from the valence band to the ground state of the impurity. At a pressure of about 3 ± 0.3 kbar in the [111] direction near the impurity breakdown, the linear polarization degree reaches ～80–90% in the main lines of terahertz radiation. As the electric field intensity increases, the depolarization of radiation is observed, which is caused by the heating of nonequilibrium holes by the electric field.     

Local electronic structure around Mn and Ga in Mn-doped GaN films showing room temperature ferromagnetism

Local electronic structures around Ga and Mn in Mn-doped GaN film with T_c of 940 K are investigated by K X-ray absorption near edge structure (XANES) analysis. It was found that the shape of the Ga XANES spectrum is remarkably similar to that of the un-doped GaN film indicating that the local electronic structure around Ga is not disturbed with Mn doping. As for the Mn XANES spectra, obvious pre-edge peaks were observed: the fine structures in the pre-edges correspond with calculated Mn 3d partial density of states which predict impurity band formation with the Fermi energy stays in the spin-up band. These findings imply that Mn 3d levels stay within the gap with the Fermi energy stays in the spin-up band.     

Negative photoconductivity of selectively doped SiGe/Si: B heterostructures with a two-dimensional hole gas in the middle-infrared range

The spectra of lateral photoconductivity in selectively doped SiGe/Si: B heterostructures with a two-dimensional hole gas are analyzed. It is revealed that the lateral photoconductivity spectra of these heterostructures exhibit two signals opposite in sign. The positive signal of the photoconductivity is associated with the impurity photoconductivity in silicon layers of the heterostructures. The negative signal of the photoconductivity is assigned to the transitions of holes from the SiGe quantum well to long-lived states in silicon barriers. The position of the negative photoconductivity signal depends on the composition of the quantum well, and the energy of the low-frequency edge of this signal is in close agreement with the calculated band offset between the quantum-confinement level of holes in the quantum well and the valence band edge in the barrier.     

La-N共掺杂锐钛矿相TiO_2的电子结构及光学性质的第一性原理研究

利用基于密度泛函理论的第一性原理平面波超软赝势方法对锐钛矿相TiO_2、La单掺杂及La-N共掺杂锐钛矿相TiO_2的电子结构进行计算,分析La单掺杂及La-N共掺杂对锐钛矿相TiO_2的晶体结构、能带、态密度、差分电荷密度和光吸收性质的影响.结果表明,掺杂后TiO_2的晶格发生畸变,原子间键长的变化使晶格发生膨胀;掺杂后TiO_2的禁带宽度减小,并在禁带中引入杂质能级,导致TiO_2的吸收图谱产生红移现象;与La单掺杂相比,La-N共掺杂锐钛矿相TiO_2的红移程度增强.     

La-N共掺杂锐钛矿相TiO2的电子结构及光学性质的第一性原理研究

利用基于密度泛函理论的第一性原理平面波超软赝势方法对锐钛矿相TiO2、La单掺杂及La-N共掺杂锐钛矿相TiO2的电子结构进行计算,分析La单掺杂及La-N共掺杂对锐钛矿相TiO2的晶体结构、能带、态密度、差分电荷密度和光吸收性质的影响. 结果表明,掺杂后TiO2的晶格发生畸变,原子间键长的变化使晶格发生膨胀;掺杂后TiO2的禁带宽度减小,并在禁带中引入杂质能级,导致TiO2的吸收图谱产生红移现象;与La单掺杂相比,La-N共掺杂锐钛矿相TiO2的红移程度增强.     

Multiple scattering theory of the density of states in semiconductors

A method for calculating the electronic density of states of a semiconductor in the presence of impurity scattering is given. The approach is based on a low density multiple scattering expansion. The calculation treats the density of states of the conduction band, shifts of the band edge, and the profiles of the impurity bands. It is performed for a simple model, using a spherical well potential for the individual impurity centers, but could be extended to any scattering potential. The first impurity band forms when the potential is sufficiently strong that one center can bind an electron. The impurity bands are of finite width, have a flat upper edge, and an asymmetrically broadened tail on the low energy side.     

Multiband tight-binding model of local magnetism in Ga1-xMnxAs

We present the spin and orbitally resolved local density of states (LDOS) for a single Mn impurity and for two nearby Mn impurities in GaAs. The GaAs host is described by a sp(3) tight-binding Hamiltonian, and the Mn impurity is described by a local p-d hybridization and on-site potential. Local spin-polarized resonances within the valence bands significantly enhance the LDOS near the band edge. For two nearby parallel Mn moments the acceptor states hybridize and split in energy. Thus scanning tunneling spectroscopy can directly measure the Mn-Mn interaction as a function of distance.     

Terahertz electroluminescence under conditions of shallow acceptor breakdown in germanium

The spectrum of spontaneous terahertz electroluminescence was obtained near the breakdown threshold of a shallow acceptor (Ga) in germanium. The emission spectra were recorded by the Fourier spectroscopy method at a temperature of ～5.5–5.6 K. The emission spectrum exhibits narrow lines with maxima at ～1.99 THz (8.2 meV) and ～2.36 THz (9.7 meV), corresponding to the optical transitions of nonequilibrium holes from the excited impurity states to the ground state of impurity center. A broad line with a maximum at ～3.15 THz (13 meV) corresponding to the hole transitions from the valence band to the impurity ground state is also seen in the spectrum. The contribution of the hole transitions from the states of the valence band increases upon an increase in the electric-field strength. Simultaneously, the optical transitions of nonequilibrium holes between the subbands of the valence band appear in the emission spectrum. The integral terahertz-emission power is ～17 nW per 1 W of the input power.     

Local density of states around a magnetic impurity in high- T(c) superconductors based on the t-J model

The local density of states (LDOS) around a magnetic impurity in high- T(c) superconductors is studied using the two-dimensional t-J model with a realistic band structure. The order parameters are determined in a self-consistent way within the Gutzwiller approximation and the Bogoliubov-de Gennes theory. In sharp contrast with the nonmagnetic impurity case, the LDOS near the magnetic impurity shows two resonance peaks reflecting the presence of spin-dependent resonance states. It is also shown that these resonance states are approximately localized around the impurity. The present results have an immediate connection with the scanning tunneling spectroscopy observation of Bi2Sr2Ca(Cu1-xNi[Zn](x))(2)O(8+delta).     

Cu掺杂ZnO薄膜的光学性质

采用射频反应磁控溅射方法,在Si(100)和石英基片上使用双靶溅射的方法制备了Cu掺杂ZnO薄膜。利用X射线衍射、透射光谱和光致发光光谱分析了薄膜的晶体结构及光学性质,并与密度泛函理论计算的结果进行了对比。研究结果显示:Cu掺杂ZnO薄膜均具有高的c轴择优取向,无Cu及其氧化物相关相析出,掺杂对晶格参数的影响较小,与理论计算结果一致。Cu掺杂显著改变了ZnO薄膜在近紫外及可见光波段的吸收特性,其光学带隙随着Cu掺杂量的增加有所减小,带隙宽度的变化趋势与理论结果有着很好的一致性。Cu掺杂显著降低了ZnO薄膜的发光效率,具有明显的发光猝灭作用,但并不影响光致发光的发光峰位。说明Cu掺杂导致的吸收特性的改变可能与杂质能级有关,这与能带结构计算发现的Cu-3d电子态位于价带顶附近的禁带中是一致的。     

Photoluminescence of the ZnSe single crystals doped by thermal diffusion of nitrogen

Photoluminescence (PL) spectra of ZnSe single crystals annealed in different ambients containing molecular nitrogen are investigated. The compensating activity of N impurity in n-ZnSe crystals is shown. It is caused by the formation of N_Se acceptor centers, having 101-108 meV activation energy. The intensity of amplification of both long-wave luminescence spectra bands and the edge luminescence spectra bands caused by the presence of nitrogen in annealing medium is investigated. The presented results allow one to assign the long-wave luminescence to deep acceptors caused by uncontrollable impurities, and the relevant bands of the edge luminescence spectra to the excitons bound with the same deep acceptors. The model explaining the transformations of the luminescent properties of ZnSe crystals by means of nitrogen impurity doping is proposed. The model considers the presence of donors having 75 meV activation energy, acceptors having 220-720 meV activation energy and centers having levels localized near the middle of the band gap.     

Fe-N共掺杂锐钛矿相TiO2电子性质与光学性质的第一性原理研究

近年来,Fe和N掺杂锐钛矿相TiO2半导体在实验中发现许多优异性能,本文采用基于密度泛函理论的平面波超软赝势方法研究了纯锐钛矿相TiO2、Fe和N单掺杂及Fe和N共掺杂TiO2的能带结构、电荷布居、态密度和光学性质.分析发现:Fe掺杂引起杂质能带位于禁带中央,杂质能带最高点与导带相距大约0.6 eV而最低点与价带相距大约0.2 eV;N掺杂引起的杂质能带位于价带顶部附近. Fe和N共掺杂后杂质能带由两部分组成,位于价带顶上方0.62 eV和导带底下方0.22 eV处,其中一层杂质能带主要由N原子的2p轨道和Fe原子的3d轨道杂化形成,而另一条杂质能带主要由Fe原子的3d轨道形成,由于杂质能级的出现,使锐钛矿TiO2的禁带宽度变小.对光学性质分析发现:Fe和N共掺杂会使锐钛矿TiO2光学吸收带边红移,可见光区的光吸收系数明显增大,在低能区出现了新的吸收峰,对应能量为1.82 eV,与实验结果相符.     

Energetics and electronic structure of refractory elements in the dislocation of NiAl

Using DMol and the discrete variational method within the framework of the density functional theory,we study the alloying effects of Nb,Ti,and V in the [100](010) edge dislocation core of NiAl.We find that when Nb(Ti,V) is substituted for Al in the center-Al,the binding energy of the system reduces 3.00 eV(2.98 eV,2.66 eV).When Nb(Ti,V) is substituted for Ni in the center-Ni,the binding energy of the system reduces only 0.47 eV(0.16 eV,0.09 eV).This shows that Nb(Ti,V) exhibits a strong Al site preference,which agrees with the experimental and other theoretical results.The analyses of the charge distribution,the interatomic energy and the partial density of states show that some charge accumulations appear between the impurity atom and Ni atoms,and the strong bonding states are formed between impurity atom and neighbouring host atoms due mainly to the hybridization of 4d5s(3d4s) orbitals of impurity atoms and 3d4s4p orbitals of host Ni atoms.The impurity induces a strong pinning effect on the [100](010) edge dislocation motion in NiAl,which is related to the mechanical properties of the NiAl alloy.     

The shape of the self-activated cathodoluminescence band in ZnS: Cl crystals

The shape of the self-activated (SA) cathodoluminescence (CL) band of ZnS: Cl crystals was measured at temperatures in the range from liquid nitrogen to room temperature. Around the SA CL band maximum the shape is Gaussian. For the low and high energy regions of the band the shape becomes exponential. These results are discussed in terms of the Dow and Redfield [1] internal electric microfield model for exponential edges. The shape parameters for the ZnS self-activated cathodoluminescence band are given in table 1. A spectral correction procedure was employed to obtain the spectra in absolute terms (photons emitted per second in a constant bandwidth resolution interval) from the raw count-rate spectra and the vital importance of this correction is emphasised. When the temperature is decreased, as usually reported, the peak of the uncorrected self-activated band shifts to lower energies. The peak of the corrected band however shifts in the opposite direction, i.e., to higher energies. This corrected change is in agreement with that of the edge emission band, that it is in agreement with the increase in the width of the forbidden energy gap with decreasing temperature in ZnS (table 2). The temperature dependence of the blue-silver (B-Ag_I) and the red-tin (R-Sn) impurity bands in cubic structure ZnS were also investigated. It was found that the uncorrected and corrected B-Ag_I peak energy decreases whilst that of the R-Sn band increases as the temperature is reduced.     

高密度激发下ZnTe晶体中与自由激子有关的发射

在77—300K温度范围内,用N2分子激光器的3371Å谱线激发未故意掺杂的p型ZnTe晶体,得到了与自由激子有关的发射。发现随着激发密度的增加,其发光光谱的峰值位置红移而谱带的半宽度展宽,这些结果可以用Ex—e和Ex—Ex的相互作用来解释。     

Final-state effects in the excitation spectra of deep impurities in semiconductors

The excitation spectra of deep impurities have usually been interpreted in terms of transitions to continuum states having the same energy distribution and Bloch-like character as the perfect-crystal band states. Here we provide theoretical analysis and experimental evidence showing that deep-level spectra may in fact be dominated by bound and quasibound final states induced by the strong short-range impurity potentials.     

ZnSe/SiO2半导体量子点玻璃的光谱特性

对采用溶胶凝胶法制备的ZnSe/SiO2半导体量子点玻璃的光谱性质进行了测试分析.UV-Vis透射光谱中观察到光吸收边相对于体相半导体有明显蓝移.稳态发射光谱(PL)中观察到ZnSe纳米晶体的位于蓝区的基本呈高斯分布的弱的最低激子发射峰、强而宽的表面态发光带以及对应杂质能级的三个锐峰发光.时间分辨荧光光谱(TRPL)中观察到发光效率高的最低激子发射峰,并测量其荧光衰减寿命,经尾部拟合为28.5 ps.同时,结合有效质量近似(EMA)模型,估计ZnSe纳米晶体的平均粒径介于2.45~3.60 nm之间,尺寸分布基本呈高斯型.     

MOVPE 生长GaN薄膜的 光致黄带发光与激发光源的相关性

用四种不同光源作为激发光源,研究了蓝宝石衬底金属有机物汽相外延方法生长的氮化镓薄膜的光致发光特性。结果发现用连续光作为激发光源时,光致发光谱中除出现365 nm的带边发射峰外,同时观察到中心波长位于约550 nm 的较宽黄带发光;而用脉冲光作为激发光源时其发光光谱主要是365 nm附近的带边发光峰,未观察到黄带发光。氮化镓薄膜的光致发光特性依赖于所用的激发光源性质。