Description of all observed rotational bands in 128Pr

The configuration-dependent cranked Nilsson-Strutinsky approach was used to investigate the rotational structures in 128Pr and signature splittings of some observed bands could be well described quantitatively at high spin. Its modified model was used to calculate special configurations in order to distinguish the N=4 d3/2s1/2 and g7/2d5/2 orbitals. All observed bands were compared with the calculated configuration assigned to the band and the agreement between experiment and theory is remarkable.     

Charge-transfer bands in alkaline-earth fluoride crystals doped by Eu or Y b ions

Absorption, emission and excitation spectra of CaF₂, SrF₂, BaF₂ crystals doped by Y bF₃ or EuF₃ impurities were studied in 1–12 eV spectral region. The intensive absorption broad bands (denoted as CT₁) were observed in all cases just below the 4f–5d absorption region. Less intensive absorption bands, denoted as CT₂, having energies 1.2–1.5 eV lower than those of CT₁, were observed in CaF₂, SrF₂ crystals doped by EuF₃ or Y bF₃ impurities.

High resolution emission spectra of Eu-doped CaF₂ and SrF₂ crystals excited into CT₁ and CT₂ bands were measured. Under excitation into CT₁ bands, all present Eu sites (C_4v, O_h and some aggregates) were observed in emission spectra. While under excitation into CT₂ bands, only the emission of C_4v sites was observed.     

Vibrational Spectra, DFT Calculations, and Assignments of the syn and the gauche Forms of Vinylphosphine

Infrared spectra (3500-600 cm(-1)) of vinylphosphine and its P-dideuterated derivative in the gas phase were recorded at 1 cm(-1) resolution. Both the infrared absorption bands of the syn and gauche conformers of the vinylphosphine were observed and assigned. The assignment was based on density functional theory calculations performed at the B3LYP/6-311G(d) level. The agreement between calculated and observed frequencies for both CH(2)&dbond;CHPH(2) and CH(2)&dbond;CHPD(2) was fairly good. The integrated intensities of isolated and overlapping vibrational bands were determined experimentally. Copyright 2001 Academic Press.     

The lowest 4f-to-5d and charge-transfer transitions of rare earth ions in YPO4 hosts

In order to study the high-energy optical transitions i.e. 4f-to-5d (f–d) and charge-transfer (CT) spectra of trivalent rare earth (4fⁿ-series, lanthanide) ions in crystal lattices, the luminescence excitation spectra of the series ions in YPO₄ host lattices are measured in a VUV–UV spectral region of 120–350 nm. The f–d bands are observed with all of the series ions except for the ions with the transition energy higher than the host lattice absorption edge i.e. except for Gd³⁺ and Yb³⁺, and the CT bands are observed except for Ce³⁺, Gd³⁺ and Tb³⁺ (Pm is unavailable).

Jørgensen's formulation which has elucidated the systematic variation of the energies of the f–d and CT transitions through the 4fⁿ-series is modified in a form of a single-electron scheme. The many-electron effects in the scheme are calculated and presented as a numerical table. The energies of the observed f–d and CT bands fit well with those calculated by the use of this table.     

钡钇氟化物中Eu2+离子的激发光谱和发射光谱

在298和77K下分别研究BaYF5(BaF2·YF3)中Eu2+的激发和发射光谱。Eu2+的发射光谱中,除了一个属5d-4f跃迁的宽发射带外,还有一组6PJ→8S7/2的4f-4f跃迁窄谱线发射。它们的发射强度与Eu2+的浓度和温度有关。由於Eu2+从4f7基态跃迁到4f65d1态产生两个宽的激发带,4f65d(eg)和4f65d(t2g)。实验证实,Eu2+的6PJ→8S7/2的窄谱线发射主要来自高能级的t2g激发能弛豫的结果。     

Local probing of adsorbate electronic structure using soft X-ray emission; atomic nitrogen on Ni(100) and Cu(100)

The N 2p partial density of states of p4g-N/Ni(100) and c(2 × 2)-N/Cu(100) overlayers have been studied by soft X-ray emission spectroscopy (SXES) and comparisons with corresponding UV photoelectron spectra are made. Broad states (∼10 eV) are observed due to the hybridisation between the N 2p and the substrate 3d and 4sp bands. For both N/Cu and N/Ni the intensity stretches out to the Fermi level, where a prominent peak for N/Cu is observed. These states close to the Fermi level are interpreted as antibonding 2p-3d hybridised states. The higher occupancy of these states in N/Cu is expected due to the higher binding energy of the 3d band in Cu than in Ni. For a complete interpretation of the SXE spectra, especially for N/Cu where many features are observed, further theoretical studies are required.     

On the orbital moment of Co in YCo5

The experimental result of the orbital and spin moments for Co in YCo₅ is analyzed by the use of the approximate d bands for YCo₅. The calculation of the anistropy constants K_u1 and K_u2 is worked out. Finally, the contributions to the anistropy constants due to 3d bands of Co_I, those of Co_II, those of Co_I and Co_II, and 3d and 4d bands of Co_I, Co_II and Y are discussed.     

激光烧蚀Al热原子与CF4,CCl4,CH2Br2反应中激发态C2的形成

脉冲激光烧蚀平面铝靶产生的热原子与气相CF4,CCl4,CH2Br2的碰撞反应中,在430～600nm之间观测到激发态C2分子的发光光谱,它们可归属为Swan带的d^3Ⅱg=a^3Ⅱu跃迁中△v=2,1,0,-1,-2五个振动序列(v′≤6)。谱强度分析表明,C2激发态可很好的用热平衡描述,其振动温度达6000K左右。同时在△v=0和-1的振动带间观测到振荡的谱峰,它们是转动谱线叠加的结果。激光烧蚀Al产生的等离子体在膨胀中产生的激波及其本身的动能与反应气体碰撞使其解离产生C,然后复合形成C2。C2激发态d可能是通过激发态的Al(^2S)经近共振传能产生,也不排除在有足够碰撞能下优先形成C2激发态b,再通过与d态的v′=6能级交叉无辐射跃迁而进入d态。     

CS2分子Penning电离的流动余辉光谱测量

用PIOS(Penning Ionization Opnieal Spectroseopy)方法首次观察到470～490nm间CS~+(A-X)13-2、14-3的发射带,发现此发射带偏重于在Ne/CS_2中产生.这些谱带的产生可用二次碰撞模型加以解释.     

Experimental evidence for tunneling in the decay of superdeformed states

A systematic study of the depopulation of superdeformed rotational bands in neutron-deficient nuclei has been performed. We observed a correlation between the rotational frequency at which the decay out of the superdeformed bands takes place and the difference between the transition quadrupole moments of states in the superdeformed bands and high-lying states with normal deformation. The observation may constitute direct experimental evidence that the commonly adopted tunneling picture for the decay of superdeformed states is valid.Received: 25 September 2003, Revised: 20 July 2004, Published online: 17 August 2004PACS: 21.10.Ky Electromagnetic moments - 21.60.Ev Collective modelsK. Lagergren: Present address: Department of Physics, Florida State University, Tallahassee, FL-32306, USA     

On the origin of the shallow and “replica” bands in FeSe monolayer superconductors

We compare the electronic structures of single FeSe layer films on SrTiO₃ substrate (FeSe/STO) and K _x Fe_2-y Se₂ superconductors obtained from extensive LDA and LDA + DMFT calculations with the results of ARPES experiments. It is demonstrated that correlation effects on Fe-3d states are sufficient in principle to explain the formation of the shallow electron-like bands at the M(X)-point. However, in FeSe/STO these effects alone are apparently insufficient for the simultaneous elimination of the hole-like Fermi surface around the Γ-point which is not observed in ARPES experiments. Detailed comparison of ARPES detected and calculated quasiparticle bands shows reasonable agreement between theory and experiment. Analysis of the bands with respect to their origin and orbital composition shows, that for FeSe/STO system the experimentally observed “replica” quasiparticle band at the M-point (usually attributed to forward scattering interactions with optical phonons in SrTiO₃ substrate) can be reasonably understood just as the LDA calculated Fe-3d _xy band, renormalized by electronic correlations. The only manifestation of the substrate reduces to lifting the degeneracy between Fe-3d _xz and Fe-3d _yz bands near M-point. For the case of K _x Fe_2-y Se₂ most bands observed in ARPES can also be understood as correlation renormalized Fe-3d LDA calculated bands, with overall semi-quantitative agreement with LDA + DMFT calculations.     

HD as a probe for detecting mass variation on a cosmological time scale

The strong electronic absorption systems of the B1 Sigma u+-X1 Sigma g+ Lyman and the C1Pi u-X1 Sigma g+ Werner bands can be used to probe possible mass-variation effects on a cosmological time scale from spectra observed at high redshift, not only in H2 but also in the second most abundant hydrogen isotopomer HD. High resolution laboratory determination of the most prominent HD lines at extreme ultraviolet wavelengths is performed at an accuracy of delta lambda/lambda approximately 5 x 10(-8), forming a database for comparison with astrophysical data. Sensitivity coefficients Ki = d ln lambda i/d ln mu are determined for HD from quantum ab initio calculations as a function of the proton-electron mass ratio mu. Strategies to deduce possible effects beyond first-order baryon/lepton mass ratio deviations are discussed.     

电子俘获材料Eu,Sm∶CaS荧光特性的研究

研究了电子俘获材料Eu ,Sm∶CaS在室温下的荧光激发谱和荧光辐射谱。荧光激发谱由四个激发带构成 ,是由Eu2 + 的 4f7→ 4f55d跃迁和基质吸收所产生的。可见光激发下的荧光辐射谱是由一个极强的宽带和两个极弱的窄带构成 ,紫外光激发下的荧光辐射谱中不仅出现了以上三个辐射带 ,还出现了七个较强的窄带。这些荧光辐射带分别是由Eu2 + 的 4f65d → 4f7、Sm3 + 的 f→ f、Eu3 + 的 f→ f跃迁所产生的。研究还发现 ,当激剂浓度一定时 ,Eu2 + 的辐射带明显比Sm3 + 的辐射带强。     

Tm3+激活无水芒硝在真空紫外光激发下的发光性质

采用高温固相反应方法在空气中制备了Na2SO4:Tm2+发光材料.用X射线衍射对晶体结构进行了表征.发射光谱由Tm3+内4f12电子跃迁的窄峰组成.激发光谱分别由Tm3+离子4f12→4f115d跃迁(183nm),O2--Tm3+之间的电荷转移带(170 nm)引起的强激发谱和基质吸收(130,223,258 nm)...     

Forbidden bands in the photoelectron spectra of diatomic molecules

Configuration interaction CNDO/INDO calculations have been used to interpret weak bands which have been observed in the photoelectron spectra of gaseous N₂, CO and CS. These bands are due to photoionisation to states which are formally forbidden on the simple one-electron transition model. The more general implications of configuration interaction bands in polyatomic molecules are discussed, and some examples are suggested where it is believed that the effect may be important.     

Fluorination of the silicon dioxide surface during reactive ion and plasma etching in halocarbon plasmas

Surface sensitive spectroscopies were employed to investigate the surface modifications which occur on SiO₂ during actual reactive ion and plasma etching in CF₄ and CF₄/O₂ plasmas. Photoemission and electron energy loss spectroscopies were used to characterize the composition and bonding in the modified layer. Core level photoemission measurements indicated a reaction layer 10–15 Å thick with a mean composition of SiOF₂. Photoemission and EELS studies of the valence bands identified several features due to Si---F bonding. Comparisons with the SiO₂ valence bands and implications for bonding are discussed. Electron energy loss spectra were also used to determine if ion induced “defect” species formed during reactive etching persist in the reaction layer. A comparison of reactive ion etching samples with those exposed to plasma etching conditions (negligible ion bombardment) indicated that the ion bombarded surfaces exhibit a reduced level of fluorination during steady state etching. Low energy ion scattering was used to determine the composition of the outermost atomic layer. These measurements indicated a fluorine terminated surface with virtually no remaining surface oxygen.     

Site selective 4f5d spectroscopy of CaF2 : Pr

Spectroscopic investigations were performed on a single crystal of CaF₂ doped with 0.05% Pr³⁺. Three different Pr³⁺ sites with different luminescent properties were identified. The 4f² →4f¹5d¹ excitation spectrum of the first site has a sharp maximum at 221.3 nm. Excitation in the 4f5d bands of this site yields strong 4f5d emissions in the UV/VIS part of the spectrum and also weaker intraconfigurational 4f² emissions. By comparing the intraconfigurational 4f emissions and their decay times with data from the literature, these 4f5d bands are assigned to transitions on Pr³⁺ ions on a site with C_4V symmetry. The fd excitation spectrum of the second site has a zero phonon line at 223.3 nm. Upon selective excitation in this band, only 4f5d emission is observed. Probably, these 4f5d bands correspond to Pr³⁺ ions on a O_h site. The third set of 4f5d bands has a 4f5d onset at 208 nm. By comparison of the luminescence spectra of the intraconfigurational 4f² transitions with literature data, these transitions are assigned to Pr³⁺ on an L site. Excitation in these 4f5d band yields ¹S₀ emission followed by emission from the ³P₀ state. The present results clarify some contradictions reported in the literature.     

Chemical and Structural Properties of Drug–protein Nanocomposites Prepared by Pulsed Laser Deposition from Conjugated Targets

Nanostructured indomethacin (IM) – bovine serum albumin (BSA) composite particulates below 50 nm were obtained by pulsed laser deposition (PLD) with 1064 nm IR beam. IM and BSA powders were coground for up to 210 min to prepare conjugated targets for PLD with varying structural states. The ablation threshold was determined to be around 1.8 J/cm², from in situ monitoring of the deposited amount by a QCM sensor. The crystallinity of IM was preserved after PLD at 5 J/cm² and decreased with increasing the laser fluence. The non-crystalline state of IM in the target after prolonged cogrinding with BSA, was also preserved in the deposited film. FT-IR absorption bands due to amide I of BSA became sharper while preserving the peak top position after cogrinding with IM. Conversely, we observed broadening of the amide I bands by PLD. Preservation and change in the chemical and structural states of the conjugates after PLD is discussed in terms of the secondary structure of BSA and crystallinity of IM.     

Contribution of frequency modulation to speech recognition in noise

Cochlear implants allow most patients with profound deafness to successfully communicate under optimal listening conditions. However, the amplitude modulation (AM) information provided by most implants is not sufficient for speech recognition in realistic settings where noise is typically present. This study added slowly varying frequency modulation (FM) to the existing algorithm of an implant simulation and used competing sentences to evaluate FM contributions to speech recognition in noise. Potential FM advantage was evaluated as a function of the number of spectral bands, FM depth, FM rate, and FM band distribution. Barring floor and ceiling effects, significant improvement was observed for all bands from 1 to 32 with the additional FM cue both in quiet and noise. Performance also improved with greater FM depth and rate, which might reflect resolved sidebands under the FM condition. Having FM present in low-frequency bands was more beneficial than in high-frequency bands, and only half of the bands required the presence of FM, regardless of position, to achieve performance similar to when all bands had the FM cue. These results provide insight into the relative contributions of AM and FM to speech communication and the potential advantage of incorporating FM for cochlear implant signal processing.     

Conversion of ultraviolet and infrared to visible light in Er3+ and Dy3+ co-doped CsGd2F7

The CsGd₂F₇ crystal co-doped with 1 at% Er³⁺ and 0.2 at% Dy³⁺ ions was studied using the excitation of both synchrotron radiation and 355 nm laser. All the emission bands were assigned by using the Dieke diagram together with the conclusions from relaxation kinetics studies. The onset of the 4f–5d transition bands and the centers of charge transfer bands were also calculated for the lanthanide series CsLn₂F₇ and the results were used to assign the bands and peaks in the excitation spectra. The energy transfer and relaxation processes in CsGd₂F₇ were thoroughly analyzed. Quantum cutting downconversion of one vacuum ultraviolet to two visible photons was realized under 154 nm excitation. Upconverted green emission was observed under 980 nm excitation.