光折变材料Cu;KNSBN的晶格振动和d—d电子跃迁

比较了铜掺杂钾钠铌酸锶钡和钾钠铌酸锶钡两样品的晶格振动和ｄ－ｄ电子跃迁谱，对于拉曼谱，Ａ１（ｚ）对称类的差别较小，Ｅ（ｘｙ）对称类的差别最大；对于红外反射谱，两对称类的均差别较大，认为Ｃｕ＾２＋部分填充了晶格Ａ位和Ｃ位，可见光范围内，ｄ－ｄ电子跃迁谱表明Ｃｕ＾２＋在晶体中形成两个深能级２．５ｅＶ和２．６４ｅＶ。     

Mn^4＋在钾钠铌酸锶钡晶体中的能态

测得了光折变材料锰掺杂的钾钠铌酸锶钡晶体（ＫＮＳＢＮ：Ｍｎ）的透过率，给出了晶体的能态结构，按配位场理论讨论了Ｍｎ＾４＋的作用机制，从微观结构上解释了ＫＮＳＢＮ：Ｍｎ的光学二极管效应。     

利用猫式自泵浦位相共轭镜的光学联想存储器

报道了以快速响应（１５０ｍｓ），成像质量高（分辨率＞５０ｐｌ／ｍｍ）的１６°切掺铜钾钠铌酸锶钡（Ｃｕ：ＫＮＳＢＮ）晶体猫式自泵浦位相共轭境作为取阈反馈器件，以低吸收薄晶体Ｃｅ：Ｆｅ：ＬｉＮｂＯ３作为存储介质的光学全息联想存储器，利用２５％原信息寻址，可得出完整的联想输出．     

掺铜铌酸钡钠中铜的形态形成特性

在铌酸钡钠（ＢＮＮ）的钨青铜结构形成范围内，适当的调整其成份组成，于氧化气氛中合成铌酸钡钠时，掺铜ＢＮＮ存在着自然形成Ｃｕ＾＋，Ｃｕ＾２＋的规律性，使用光电子能谱仪粒测定了掺铜ＢＮＮ铜的价态，讨论了Ｃｕ＾＋及Ｃｕ＾２＋在ＢＮＮ结构中占位以及掺铜ＢＮＮ晶体赋色的原因。     

Si／Ge应变层超晶格的椭偏光谱

测量了几种不同组分的（Ｓｉ）Ｍ／（Ｇｅ）Ｎ应变超晶格材料的椭偏光谱（２．０～５．０ｅＶ），并得到了其介电函数谱；应用介电函数的临界点理论，研究了（Ｓｉ）Ｍ／（Ｇｅ）Ｎ应变超晶格材料的光学性质。发现短周期Ｓｉ／Ｇｅ应变超晶格除了具有明显的Ｅ１和Ｅ２带间跃迁外，还存在与应力和超晶格能带的折迭效应有关的跃迁峰，其能量分别位于２．３～３．０ｅＶ和３．３～４．０ｅＶ范围内     

He（2^3S）与N2O（X）Penning电离中的N2O^＋（A^2Σ^＋）生成速率及相…

在分子束条件下测量了Ｈｅ（２＾３Ｓ）＋Ｎ２Ｏ（Ｘ）→Ｎ２Ｏ＾＋（Ａ＾２Σ＾＋）＋Ｈｅ（＾１Ｓｏ）＋ｅ＾－反应的Ｐｅｎｎｉｎｇ电离光学光谱，求得了Ｎ２Ｏ＾＋（Ａ＾２Σ＾＋）态的初生态相对振动布居。以Ｈｅ（２＾３Ｓ）＋Ｎ２（Ｘ）→Ｎ＾＋２（Ｂ＾２Σ＾＋ｕ）＋Ｈｅ（＾１Ｓｏ）＋ｅ＾－为参考反应，测量了Ｈｅ（２＾３Ｓ）＋ＢＮ２Ｏ＾＋（Ａ＾２Σ＾＋）＋Ｈｅ（＾１Ｓｏ）＋ｅ＾－反应的速率常数ＫＮ２Ｏ＾＋（Ａ）     

200GeV/u的~(238)U+~(238)U核碰撞产生的双轻子谱(M≤4GeV/c~2)的计算

在夸克味动力学的计算中,除包含ｕ、ｄ、ｓ夸克及其反夸克外,还涉及粲夸克及其反夸克（ｃｃ）,采用包含夸克味动力学效应的相对论性流体力学模型,计算了碰撞能量为２００ＧｅＶ／ｕ的２３８Ｕ＋２３８Ｕ核碰撞时形成的膨胀ＱＧＰ及其在相变过程中发射的双轻子谱,轻子对的质量范围Ｍ≤４ＧｅＶ／ｃ２．计算结果与ＣＥＲＮＳＰＳ的实验测量数据进行了定性的比较和分析,得到初步的结论：由于夸克碎块和味动力学效应,Ｊ／ψ→μ＋＋μ－峰值被降低,导致低质量区（阈至１．３５ＧｅＶ／ｃ２）谱的提高．     

NO在Cs／Ru（1010）表面上吸附的ARUPS研究

在１５０Ｋ的低温下，ＮＯ在清洁的Ｒｕ（１０１０）表面上的吸附，Ｈｅｌｌ－ＡＲＵＰＳ显示在Ｅ以下９．３ｅＶ（５σ＋１π）和１４．６ｅＶ（４σ）处有两个峰，表明ＮＯ在Ｒｕ（１０１０）表面上是分子吸附，ＮＯ在Ｃｓ／Ｒｕ（１０１０）表面上的吸附，ＡＲＵＰＳ测得在Ｅ以下６．２，９．２，１１．１，１２．４和１４．９ｅＶ处有５个峰，和Ｎ２Ｏ气相的ＵＰＳ谱比较认定它们是Ｎ２Ｏ和ＮＯ共存的结果，表明ＮＯ在Ｃｓ／Ｒｕ     

3d＿（z￣2）基态铜（Ⅱ）冠醚配合物的粉末ESR谱

制备了两种不同基质的掺杂３ｄ＿（ｚ￣２）基态铜（Ⅱ）苯并１５冠５配合物（Ｃｕ（Ⅱ）Ｂ１５Ｃ５）的粉末样品，ＥＳＲ测定结果表明，以Ｂ１５Ｃ５为基质时，Ｃｕ（Ⅱ）Ｂ１５Ｃ５的轴向配体是Ｈ＿２Ｏ；而以Ｍｇ（Ⅱ）Ｂ１５Ｃ５为基质时的轴向配体则是．不同的轴向配体对ＥＳＲ谱的线型有着较大的影响。利用Ｂｌｅａｎｅｙ公式，计算了键参数，并对成键特性进行了讨论和比较。     

Ca3Al2M3O12（M=Si,Ge）石榴石中Ce^3＋离子的荧光光谱

本文研究了Ｃａ３Ａｌ２Ｍ３Ｏ１２（Ｍ＝Ｓｉ，Ｇｅ）石榴石中Ｇｅ＾３＋离子的荧光光谱。在这两种石榴石中，Ｃｅ＾３＋的发射光谱均为Ｃｅ＾３＋的５ｄ→４ｆ能级跃迁发射宽谱带，但有很大差异。在锗酸盐中，Ｃｅ＾３＋的发射强度很弱，而在硅酸盐中发射强，２９５和７７Ｋ下在Ｃａ３Ａｌ２Ｓｉ３Ｏ１２中Ｃｅ＾３＋的荧光寿命分别为４６和４９ｎｓ。Ｇｄ＾３＋和助溶剂的引入可提高Ｃｅ＾３＋的发射强度。     

Cs3Cu2I5晶体薄膜吸收谱的研究

本文测定了Ｃｓ３Ｃｕ２ Ｉ５ 晶体薄膜在室温及液氮温度下的吸收谱,并依此计算出该材料的激子参数,即激子束缚能ΔＥ（１）ｅｘ ＝ （０．５３±０．０７）ｅＶ,激子半径ａｅｘ ＝ ０．３２６ ｎｍ ,禁带宽度Ｅｇ ＝ （５．００±０．０７）ｅＶ。在谱分析的基础上,论证了Ｃｓ３Ｃｕ２Ｉ５ 的电子和激子激发定域在该晶体的ＣｕＩ亚晶格之中,同时,揭示了在低温下Ｃｓｘ Ｃｕ１－ ｘ Ｉ系列化合物的第一激子峰位置随其摩尔组分变化的规律。     

High-resolution KLM Auger spectra of Ni metal excited by X-rays

KLM Auger spectra of Ni metal were measured with high energy resolution and high statistical accuracy using monochromatic synchrotron radiation. The spectra were corrected for the background from inelastically scattered electrons using partial intensity analysis where the electron trajectories were calculated by Monte Carlo simulation. Following background correction, the corrected spectra were fitted to model peaks taking into account intrinsic excitations. The measured transition energy of the most intense KL₂M₃ (¹D₂) Auger line is 7388.1 eV (0.4). The obtained relative intensities and energies of the Auger diagram lines are compared to published calculations as well as to experimental data for other 3d transition metals. In addition, the presence of Ni 3s, 3p photoelectron peaks in the spectra excited internally by Ni K X-rays is shown.     

Electronic and optical properties of Cu, CuO and Cu2O studied by electron spectroscopy

The electronic and optical properties of Cu, CuO and Cu(2)O were studied by x-ray photoelectron spectroscopy (XPS) and reflection electron energy-loss spectroscopy (REELS). We report detailed Cu 2p, Cu LVV, O 1s and O KLL spectra which are in good agreement with previous results. REELS spectra, recorded for primary energies in the range from 150 to 2000 eV, were corrected for multiple inelastically scattered electrons to determine the effective inelastic scattering cross section. The dielectric functions and optical properties were determined by comparing the experimental inelastic electron scattering cross section with a simulated cross section calculated within the semi-classical dielectric response model in which the only input is Im(-1/ε) by using the QUEELS-ε(k,ω)-REELS software package. By Kramers-Kronig transformation of the determined Im(-1/ε), the real and imaginary parts (ε(1) and ε(2)) of the dielectric function, and the refractive index n and extinction coefficient k were determined for Cu, CuO, and Cu(2)O in the 0-100 eV energy range. Observed differences between Cu, CuO and Cu(2)O are mainly due to modifications of the 3d and O 2p electron configurations.     

Raman scattering and disorder effect in Cu2ZnSnS4

The Raman spectra of surface regions of bulk Cu₂ZnSnS₄ (CZTS) samples with different Cu and Zn cation content were obtained and the differences in the spectra are attributed to statistical disorder effects in the cation sublattice. This disorder in the Cu and Zn sublattices may initiate a change of the crystal symmetry from kesterite‐type $({I\bar 4})$ to $({I\bar 42m})$ space group. The investigated CZTS crystals grown at high temperature are characterised by the co‐existence of regions with different composition ratio of Cu/(Zn + Sn) which results in kesterite and disordered kesterite phases. The presence of a disordered phase with ${I\bar 42m}$ symmetry is reflected in the appearance of a dominant broadened A‐symmetry peak at lower frequency than the peak of the main A‐symmetry kesterite mode at 337 cm^–1. We suppose that due to a small energy barrier between these phases the transition from one phase to the other can be stimulated by optical excitation of Cu₂ZnSnS₄. The analysis of the Raman spectra measured under different excitation conditions has allowed obtaining first (to our knowledge) experimental evidence of the existence of such optically induced structural transition in CZTS. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Change of electronic structure in Ca2RuO4 induced by orbital ordering

Optical conductivity spectra sigma(omega) were used to investigate the effect of orbital ordering on the electronic structure of Ca2RuO4. Our LDA+U calculation predicts Ru 4d(xy) ferro-orbital ordering at the ground state, and well explains the present sigma(omega) as well as the reported O 1s x-ray absorption spectra. Variation of temperature (T) causes a large change of spectral weight over several eV as well as collapse of a charge gap accompanied by elongation of the c-axis Ru-O bond length. These results clearly indicate that the d(xy) orbital ordering plays a crucial role in the metal-insulator transition and the T-dependent electronic structure on a large energy scale.     

Surface states of cobalt nanoislands on Cu111

The electronic structure of thin Co nanoislands on Cu(111) has been investigated below and above the Fermi level (E(F)) by scanning tunneling spectroscopy at low temperature. Two surface related electronic states are found: a strong localized peak 0.31 eV below E(F) and a mainly unoccupied dispersive state, giving rise to quantum interference patterns of standing electron waves on the Co surface. Ab initio calculations reveal that the electronic states are spin polarized, originating from d3(z(2)-r(2))-minority and sp-majority bands, respectively.     

Spin-polarized tunneling spectroscopy of co(0001) surface States

Spin-polarized tunneling was studied on Co surfaces of exchange coupled Co/Cu/Co samples, using an Fe tip. A spin-polarized surface state of Co(0001) was found to exist at -0.43 eV relative to E(F), with FWHM of 0.23 eV in the spectra. The state exhibits negative magnetoresistance with an effective spin polarization of less than -23%, suggesting negatively high spin polarization of the surface state. Our first-principles calculations have supported the existence of the surface state. From the calculation, the state is identified as a minority spin Gamma-centered d(2)(z)-like surface state.     

142-164Dy核的低能谱和电磁跃迁的相互作用玻色子模型

采用IBM模型研究了^142-164Dy核的低能正宇称态的能谱和电磁跃迁。应用U(5)→SU(3)的简化哈密顿量较好地描述了它们的能谱和电磁跃迁。研究结果表明，该核基本属于U(5)→SU(3)的过渡核Spectra and E2 transition rates for the even even 142-164Dy isotopes are studied in the framework of the interacting boson model. A schematic Hamiltonian capable of describing their spectra and transition is used. It is found that the even even 142-164Dy isotopes are in the transition from U(5)to SU(3) dynamical symmetry.     

X-ray absorption spectra: K-edges of 3d transition metals,L-edges of 3d and 4d metals,and M-edges of palladium

The X-ray absorption spectra of the 3d and 4d transition metals have been calculated within the single-particle approximation by a new linearized augmented plane wave method. The spectra, calculated with sharp atomic and band-structure single-particle levels, have been convoluted with a Lorentzian broadening function whose width is the sum of that of the core hole and the excited electrons. Plots are shown for (i) the K-edge fine structures up to at least 100 eV above the edge for Ca, Ti, Cr, Co, Cu, and Zn, (ii) the L_{2, 3} white lines for Ca, Ti, Cr, Co, and Cu, (iii) the L₃ white lines for Sr, Zr, Nb, Ru, Rh, and Pd, and (iv) the M_{2, 3} and M_4,5 spectrum of Pd. Systematic features which depend on the crystal structure and the placement of the Fermi level with conduction band are briefly discussed.     

第一性原理下铜锰共掺铌酸锂晶体的电子结构和吸收光谱

采用基于密度泛函理论的第一性原理研究了Cu、Mn单掺及共掺LiNbO3晶体的电子结构和光学性质.结果显示,Cu、Mn掺杂LiNbO_3晶体禁带中的杂质能级分别由Cu 3d轨道、Mn 3d轨道贡献;各掺杂体系的带隙均较纯LiNbO_3晶体变窄.共掺晶体中Cu离子形成了较单掺时更浅的能级中心,并在2.87eV处有较强的吸收峰;Mn离子在1.73eV附近的吸收较单掺时减弱且中心略有偏移,在2.24eV处的非光折变峰与Mn~(3+)相关,这对吸收峰的变化被认为与Cu、Mn间电子转移相联系.相对Cu、Fe共掺LiNbO_3晶体,Cu、Mn共掺LiNbO_3晶体可以通过适当提高Cu离子浓度,来改善存储参量中的动态范围和记录灵敏度.由于同一深能级掺杂离子伴以不同浅能级掺离子将呈现出不同的吸收特征并影响存储性能,在共掺离子的配搭选择时对各待选配搭的模拟计算非常必要.