Paraelastisches Verhalten von S2 −-Zentren in Alkalihalogeniden

The reorientation of S₂ ^? molecule ions on anion sites in alkali halide crystals under mechanical stress has been investigated by means of electron spin resonance and optical measurements. The reorientation rate is given by an Arrhenius relation. Tunneling in the ground state of libration is unimportant contrary to the case of the O₂ ^? center. The stress-induced dichroism permitted identification and assignment of two optical absorption bands of the S₂ ^? center.     

Soft-template synthesis and optical Properties of Sb2S3 semiconductor quasi-nanospheres

The reverse micelle system composed of four phases of Hexamethylene/Triton-100/n-pentanol/water (containing 1 ml 0.1 M Sb³⁺ or 1 ml 0.1 M S²⁻), which ratio is 28:3:1:1, is prepared. Sb₂S₃ quasi-nanospheres with diameters between 160 and 240 nm are synthesized by above reverse micelle soft-template system. The result shows that the fluorescence peaks have a blue shift about 19 nm when it is excited at 219 nm, and the UV–Vis absorption peaks shift about 453 nm (2.74 eV).     

Decay Time of 2.09 eV Luminescence of S2--Vacancy Centers and Their Optical and Thermal Stability in NaCl:S2 Crystals

An investigation was carried out on decay time of the 2.09 eV emission of S²–vacancy pair centers in NaCl crystals. When the crystal was excited by a pulsed 337 nm light from an N₂ laser, the 2.09 eV yellow luminescence principally decayed with the lifetime of 14.2 μs at low temperatures, and exhibited a weak thermal quenching with an activation energy of 51.3 meV above about 150 K. Such S^2--vacancy pair centers responsible for the 2.09 eV luminescence were thermally stable at room temperature, and not bleached even when exposed to ultraviolet lights below about 5 eV. Thus, the 2.09 eV emission center possibly can be used as a solid-state laser active center working at room temperature.     

AlxGa1-xN/GaN双量子阱的结构和掺杂浓度对子带间跃迁波长和吸收系数的影响

用薛定谔方程和泊松方程自洽计算的方法研究了Al_0.75Ga_0.25N/GaN对称双量子阱(DQWs)中子带间跃迁(ISBT)的波长和吸收系数对中间耦合势垒高度、中间耦合势垒宽度、势阱宽度和势垒掺杂浓度的依赖关系.研究发现,第一奇序子带S_1ood与第二偶序子带S_2even ISBT波长随着中间耦合势垒高度的降低而变短.当中间耦合势垒高度高于0.62 eV时,S_{1odd< 关键词： 自洽 x}Ga_1-xN/GaN双量子阱')" href="#">Al_xGa_1-xN/GaN双量子阱 子带间跃迁     

The molecular structure and the analytical potential energy function of S2^- and S3^-

In this paper, the equilibrium geometry, harmonic frequency and dissociation energy of S2^- and S3^- have been calculated at QCISD/6-311＋＋G（3d2f） and B3P86/6-311＋＋G（3d2f） level. The S2^- ground state is of 2IIg, the S3^- ground state is of 2B1 and S3^- has a bent （C2v） structure with an angle of 115.65° The results are in good agreement with these reported in other literature. For S3^- ion, the vibration frequencies and the force constants have also been calculated. Base on the general principles of microscopic reversibility, the dissociation limits has been deduced. The Murrell-Sorbie potential energy function for S2^- has been derived according to the ab initio data through the least- squares fitting. The force constants and spectroscopic data for S2^- have been calculated, then compared with other theoretical data. The analytical potential energy function of S3^- have been obtained based on the many-body expansion theory. The structure and energy can correctly reappear on the potential surface.     

Comparative first-principles analysis of the absorption spectra of ZnAl2S4 and ZnGa2O4 crystals doped with Cr3+

Systematic first-principles analysis of the energy level schemes and ground state absorption spectra of trivalent chromium in ZnAl₂S₄ and ZnGa₂O₄ crystals has been performed in the present paper. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron (DV-ME) method [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. The method is based on the numerical solution of the Dirac equation; no phenomenological parameters are used in the calculations. As a result, complete energy level schemes of the Cr³⁺ ion and its absorption spectra in both crystals were calculated, assigned and compared with experimental data. By performing analysis of the molecular orbital (MO) population, it was shown that the covalency of the chemical bonds between the Cr³⁺ and S^2- ions is more significant than that one between the Cr³⁺ and O^2- ions.     

Lithium in In2S3

The electrochemical insertion of lithium into β-In₂S₃ at different concentrations has been investigated by means of γγ-Perturbed Angular Correlations measurements using implanted radioactive ¹¹¹In nuclei. The study of the hyperfine interactions of the ¹¹¹Cd nuclei during the decay ¹¹¹In(EC)¹¹¹Cd allowed to determine the evolution of the three observed electric field gradients at different temperatures and lithium contents. This study reveals a great difference of behavior between the three indium sites of the structure, and shows the mobility of indium ions and their partial reduction after lithium insertion. In₂S₃ is good model material to study the properties of more complex materials based on this structure, which may be used as electrodes for lithium-ion batteries. This revised version was published online in September 2006 with corrections to the Cover Date.     

AgSbSe2 and AgSb(S,Se)2 thin films for photovoltaic applications

Silver antimony selenide (AgSbSe₂) thin films were prepared by heating sequentially deposited multilayers of antimony sulphide (Sb₂S₃), silver selenide (Ag₂Se), selenium (Se) and silver (Ag). Sb₂S₃ thin film was prepared from a chemical bath containing SbCl₃ and Na₂S₂O₃, Ag₂Se from a solution containing AgNO₃ and Na₂SeSO₃ and Se thin films from an acidified solution of Na₂SeSO₃, at room temperature on glass substrates. Ag thin film was deposited by thermal evaporation. The annealing temperature was 350 °C in vacuum (10⁻³ Torr) for 1 h. X-ray diffraction analysis showed that the thin films formed were polycrystalline AgSbSe₂ or AgSb(S,Se)₂ depending on selenium content in the precursor films. Morphology and elemental analysis of these films were done using scanning electron microscopy and energy dispersive X-ray spectroscopy. Optical band gap was evaluated from the UV-visible absorption spectra of these films. Electrical characterizations were done using Hall effect and photocurrent measurements. A photovoltaic structure: glass/ITO/CdS/AgSbSe₂/Al was formed, in which CdS was deposited by chemical bath deposition. J-V characteristics of this structure showed V_oc = 435 mV and J_sc = 0.08 mA/cm² under illumination using a tungsten halogen lamp. Preparation of a photovoltaic structure using AgSbSe₂ as an absorber material by a non-toxic selenization process is achieved.     

The study of below and above band-edge imperfection states in In2S3 solar energy materials

β-In₂S₃ is a nontoxic buffer layer material usually used in a thin-film solar cell due to a lot of vacancies and surface states naturally existing in the crystal to assist in photoelectric conversion. Transition metal (TM)-incorporated β-In₂S₃ has also been proposed to increase conversion efficiency in In₂S₃ since multi-photons absorption by intermediate band (IB) would happen in the sulfide. In this paper, single crystals of undoped and Nb-doped β-In₂S₃ have been grown by the chemical vapor transport (CVT) method using ICl₃ as a transport agent. Optical properties of the imperfection states of the crystals are probed by thermoreflectance (TR), photoconductivity (PC), photoluminescence (PL), surface photoconductive response (SPR), optical absorption and photo–voltage–current (photo V–I) measurements. The TR and optical-absorption measurements confirmed that the undoped and Nb-doped β-In₂S₃ are direct semiconductors with energy gap of 1.935 eV for undoped β-In₂S₃, 1.923 eV for β-In₂S₃:Nb_0.005, and 1.901 eV for β-In₂S₃:Nb_0.01. For undoped β-In₂S₃, PC and PL measurements are used to characterize defect transitions below band gap. The above band-edge transitions of undoped β-In₂S₃ have also been evaluated using PL, PC, and SPR measurements. For the evaluation of Nb-doped β-In₂S₃, an intermediate band with energy of ∼0.4 eV below the conduction band edge has been detected in the TR measurements in both β-In₂S₃:Nb_0.005 and β-In₂S₃:Nb_0.01. The photo V–I measurements also verified that the photoelectric-conversion efficiency would be enhanced in the β-In₂S₃ with higher niobium content. Based on the experimental analyses, the optical behavior of the defects, surface states, and IB (formed by Nb) in the In₂S₃ crystals is thus explored.     

Fluorescence excitation spectroscopic characterisation of F2 - colour centers in a LiF crystal

LiF crystals with F₂ ^- centers contain a whole series of F-based colour centers with spectrally overlapping absorption spectra. On the short-wavelength side the absorption spectrum of the F₂ ^- centers is overlapping with the absorption spectra of other colour centers and is therefore not directly accessible by transmission measurements. Fluorescence excitation spectroscopy is employed here to gain information on the absorption spectrum of F₂ ^- centers in spectral regions where the absorption by other centers is present. The fluorescence signal emitted beyond 1200 nm is detected as a function of the excitation wavelength in the range from 350 nm to 1100 nm. The F₂ ^- center absorption cross-section spectrum in the wavelength range from 690 nm to 1100 nm and from 350 nm to 410 nm is determined from the fluorescence excitation quantum distribution and the transmission spectrum. Influences of fluorescence re-absorption and Förster-type energy transfer on the fluorescence excitation quantum distribution and the subsequent F₂ ^- center absorption cross-section determination are discussed. PACS 61.72.Ji; 78.40.Ha; 78.55.Fv     

Strong green luminescence of Ni2+-doped ZnS nanocrystals

ZnS nanoparticles doped with Ni²⁺ have been obtained by chemical co-precipitation from homogeneous solutions of zinc and nickel salt compounds, with S^2- as precipitating anion, formed by decomposition of thioacetamide (TAA). The average size of particles doped with different mole ratios, estimated from the Debye–Scherrer formula, is about 2–2.5 nm. The nanoparticles could be doped with nickel during synthesis without altering the X-ray diffraction pattern. A Hitachi M-850 fluorescence spectrophotometer reveals the emission spectra of samples. The absorption spectra show that the excitation spectra of Ni-doped ZnS nanocrystallites are almost the same as those of pure ZnS nanocrystallites (λ_ex=308–310 nm). Because a Ni²⁺ luminescent center is formed in ZnS nanocrystallites, the photoluminescence intensity increases with the amount of ZnS nanoparticles doped with Ni²⁺. Stronger and stable green-light emission (520 nm) (its intensity is about two times that of pure ZnS nanoparticles) has been observed from ZnS nanoparticles doped with Ni²⁺. Received: 18 December 2000 / Accepted: 17 March 2001 / Published online: 20 June 2001     

紫外光诱导光电子发射负离子源的阈值光电子成像仪设计 (cited: 2)

设计了一套紧凑的光电子成像装置,它包括解离式光电子贴附负离子源、垂直安装的高分辨阈值光电子速度成像装置和线性飞行时间质谱仪．紫外光辐射金属表面诱导低能光电子发射,再通过低能电子贴附超声分子束产生高强度和冷的负离子源．结合这种负离子源和飞行时间质谱-光电子成像仪装置,仪器的质量分辨能达到200左右,能量分辨优于3%(即对1 eV动能的电子,分辨达到30 meV)．此外,使用该实验装置获得了CH₃S^-和S₂^-在611.46 nm下的低能阈值光电子成像结果．同时得到了CH₃S和S₂的更精确的电子亲和势分别为1.8626±0.0020和1.6744±0.0035 eV．初步的结果证明了该装置对研究阈值光电子成像精确测量光电子亲和势非常有效     

Photochemical conversion and optical absorption spectra of V centers in coloured KI crystals

Abstract

The initial V₂ and V₃ bands observed after quenching of coloured KI crystals are found to be the superposition of absorption bands due to two kinds of V centres with ?110? and ?111? symmetries. The ratio of concentrations of the former to the latter V centers is estimated to be about 3:1. When a quenched crystal is irradiated at 19 K with V₃-light in the 270-nm region, V centers are bleached forming I_2-like centers. On the basis of the I₃ molecule-ion model bound to a cation vacancy, a review is given of recent work on the photochemical conversion of V centers at low temperatures.     

A rapid combustion process for the preparation of MgSrAl10O17:Eu phosphor and related luminescence and defect investigations

Blue-emitting europium-ion-doped MgSrAl₁₀O₁₇ phosphor, prepared using the combustion method, is described. An efficient phosphor can be prepared by this method in a muffle furnace maintained at 500 °C in a very short time of few minutes. The phosphor is characterized by powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy and BET surface area measurements. Photoluminescence (PL) spectra revealed that europium ions were present in divalent oxidation state. The thermoluminescence (TL) glow curve shows two peaks at around 178 and at 354 °C. The defect centres formed in the phosphor are studied using electron spin resonance (ESR). The ESR spectrum indicates the presence of Fe³⁺ ions in the non-irradiated system. Irradiated MgSrAl₁₀O₁₇:Eu exhibits lines due to radiation-sensitive Fe³⁺ ion and a defect centre. The centre is characterized by an isotropic g-value of 2.0012 and is assigned to a F⁺ centre. The radiation-sensitive Fe³⁺ ion appears to correlate with the main TL peak at 178 °C. During irradiation an electron is released from Fe²⁺ and is trapped at an anion vacancy to form F⁺ centre. During heating, an electron is liberated from the defect centre and recombines with Fe³⁺ emitting light.     

First observation of the ΣN decay of the S = - 2 system

An event emitting a Σ^- -hyperon from a Ξ^- -hyperon nuclear capture at rest has been observed in a hybrid-emulsion experiment. The event has been analyzed as the first observation of the weak decay of the S = - 2 system.     

The submillimeter wave spectrum of 32S16O2, 32S16O2(ν2), and 34S16O2

Extensive new measurements in the region 400–1000 GHz have been made on ³²S¹⁶O₂, ³²S¹⁶O₂(ν₂), and ³⁴S¹⁶O₂. These measurements represent almost a threefold extension in the frequency region for which high-resolution microwave data are available. These data have been combined with the previously available microwave data for this analysis. The results, when extrapolated into the far infrared, compare favorably with recent results obtained from high-resolution FIR spectroscopy.     

Reflectivity of Sn(Se1-xSx)2 mixed crystals

Reflectivity measurements in fundamental absorption range (3.6–13 eV) have been made on Sn(Se_1-xS_x)₂ mixed compounds for several compositions (x = 0.0, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0). The composition dependence of the energy location of the reflectivity structures is found to be non-linear and different according to the electronic transitions involved. This behaviour is discussed in terms of electronic structure evolution related to the anion substitution.     

Absorption Spectra of Single Crystals of EuGa2S4 and EuGa2S4:Co

The optical properties of EuGa₂S₄ and EuGa₂S₄:Co single crystals in a range of temperatures from 77 to 300 K are investigated. The single crystals are obtained by the Bridgman method and are characterized by tetragonal syngony. The behavior of the optical transitions in the photon energy range 1.70–2.45 eV and the temperature range 77–300 K is determined. It is established that in the energy range 1.77–1.90 eV absorption is associated with transitions of the Co²⁺ ion, while in the range 2.20–2.40 eV, with indirect allowed optical transitions.     

Influence of reducing annealing on the luminescent properties of Li2B4O7:Cu single crystals

Li₂B₄O₇:Cu single-crystal annealing in the reducing environment results in a sharp drop of intensity of thermoluminescence (TSL) and X-ray luminescence (XL) peaks. It was suggested that during annealing in the reducing environment, an oxygen vacancy is produced in the LTB structure at the bridging oxygen atom site. Oxygen vacancy charge compensation takes place at the expense of reduction of the doping Cu⁺ ion to the Cu⁰ state. In this case the A⁰-type thermoluminescence center formation mechanism due to irradiation becomes impossible.     

MgF2单晶的THz光谱研究

利用THz时域光谱技术对MgF₂晶体(样品1)和MgF₂：Co晶体(样品2)在0.5—2.5 THz的吸收特性进行了研究.在0.5—2.5 THz波段，样品1吸收系数α(ν)随频率ν增加而增大，最大值为24 cm^-1.样品2的吸收系数比样品1大得多，Co掺杂使晶格吸收带边向低频移动，而且样品2在1.9 THz有吸收峰，吸收系数达到70 cm^-1，由此求出F^--Co²⁺离子键伸缩振动的键力常数K为3.40×10^-2　N/cm.这一结果表明，THz光谱分析有可能成为研究晶体化学键的一种重要手段.利用光学常数之间的关系计算了两个样品在0.5—2.5 THz的介电函数的实部ε₁(ν)，得到样品1的ε₁(ν)值在4.67至4.73之间，样品2的ε₁(ν)值在4.62至5.01之间. 关键词： THz辐射 光谱 2晶体')" href="#">MgF₂晶体