钠分子B^1∏u与2^1∑g^＋间的碰撞激发转移

The B 1pi(u) electronic state of Na2 was excited by the 441.6 nm He-Cd laser line. The Na atomic transitions and the A 1sigma(u)+ --> X 1sigma(g)+ band of Na2 were recorded. From the intensities and spectra of the Na and Na2 fluorescence several collisional processes in the excited sodium atom-dimer system were identified. The Na atomic lines are the result of collisional energy transfer from Na2 (B 1pi(u)) to Na(3P). Predissociation process may also contribute to atomic fluorescence. The A 1sigma(u)+ --> X 1sigma(g)+ band is interpreted through a populating mechanism involving collisional transfer from B 1pi(u) to 2 1sigma(g)+ followed by a radiative transfer to the A 1sigma(u)+ state. From the decay constants and fluorescence intensities, the rate coefficient at 360 degrees C for collisional energy transfer from Na2 (B 1pi(u)) to Na2 (2 1sigma(g)+) was found to be 5.7 x 10(-10) cm3 x s(-1). The predissociation rate of the B 1pi(u) is 2.7 x 10(6) s(-1).     

17O NMR studies of a triangular-lattice superconductor NaxCoO2 x yH(2)O

We report the first 17O NMR studies of a triangular-lattice superconductor Na(1/3)CoO2 x 4/3H(2)O and the host material Na(x)CoO2 (x=0.35 and 0.72). Knight shift measurements reveal that p-d hybridization induces sizable spin polarization in the O triangular-lattice layers. Water intercalation makes CoO2 planes homogeneous and enhances low frequency spin fluctuations near T(c)=4.5 K at some finite wave vectors different from both the ferromagnetic and "120 degree" modes.     

Sodium trimer ordering on a NaxCoO2 surface

Sodium ion ordering on an in situ cleaved NaxCoO2 (x=0.84) surface has been studied by ultrahigh vacuum scanning tunneling microscopy at room temperature. Three main phases, with p(3 x 3), ( radical7 x radical7), and (2 radical3 x 2 radical3) hexagonal unit cells and a surface Na concentration of 1/3, 3/7, 1/2, respectively, were identified. One surprising finding is that Na trimers act as the basic building blocks that order in long range. The stability of Na trimers is attributed to the increased Na coordination with oxygen as indicated by ab initio calculations, and possibly at finite temperature by configuration entropy.     

Resonant photoemission at the 2p thresholds of Fe,Co, and Ni metal

Resonant photoemission studies have been performed at the 2p soft-x-ray absorption thresholds of Fe, Co, and Ni metal. At resonance, the photoelectron intensity exhibits a strong enhancement in the region of the two-hole satellites, which is shown, however, to be mostly due to an incoherent superposition of a photoemission signal with a more intense signal from anL ₃ M _4,5 M _4,5 Coster-Kronig decay of the core-ionized state. The resonant enhancement of the valence-band photoemission satellite in Ni metal amounts to a factor of 12. In contrast, no photoemission satellites are observed for Fe and Co metal.     

Angle-resolved photoemission study of the cobalt oxide superconductor Na(x)CoO(2) x yH(2)O: observation of the Fermi surface

The cobalt oxide superconductor Na(x)CoO(2) x yH(2)O is studied by angle-resolved photoemission spectroscopy. We report the Fermi surface (FS) topology and electronic structure near the Fermi level (E(F)) in the normal state of Na(x)CoO(2) x yH(2)O. Our result indicates the presence of the hexagonal FS centered at the Gamma point, while the small pocket FSs along Gamma-K direction are absent, similar to Na(x)CoO(2). The top of the e(g)(') band, which is expected in band calculations to form the small pocket FSs, extends to within approximately 30 meV below E(F), closer to E(F) than in Na(x)CoO(2). We discuss its possible role in superconductivity, comparing with other experimental and theoretical results.     

Charge and spin order on the triangular lattice: NaxCoO2 at x=0.5

The nature of electronic states due to strong correlation and geometric frustration on the triangular lattice is investigated in connection to the unconventional insulating state of NaxCoO2 at x=0.5. We study an extended Hubbard model using a spatially unrestricted Gutzwiller approximation. We find a new class of charge and spin ordered states at x=1/3 and x=0.5 where antiferromagnetic (AFM) frustration is alleviated via weak charge inhomogeneity. At x=0.5, we show that the square root of 3a x 2a off-plane Na dopant order induces weak square root of 3a x 1a charge order in the Co layer. The symmetry breaking enables successive square root of 3a x 1a AFM and 2a x 2a charge- or spin-ordering transitions at low temperatures. The Fermi surface is truncated by the 2a x 2a hexagonal zone boundary into small electron and hole pockets. We study the phase structure and compare to recent experiments.     

稀土茜素黄R配合物的合成、表征及荧光性质

合成了 4种茜素黄R稀土配合物 ,通过对元素分析、红外光谱、紫外光谱和核磁共振氢谱的分析 ,确定它们的组成为 :Na[REL2 ]·2H2 O(RE =Sm ,Eu ,Tb ,Y ,NaHL =茜素黄R)。红外光谱表明 :配体以羧羰基的氧与稀土离子以单齿配位 ;配体的酚羟基离解 ,脱去质子后羟基氧与稀土离子配位 ;即酚氧和羧羰基的氧与稀土离子形成一个六元螯合环。配体的吸收峰 398nm在形成配合物后移于 35 1～ 35 5nm ,发生了较大位移 ,这说明稀土离子与配体成键 ;配合物IR在 4 15～ 4 35cm-1之间出现的新吸收峰归属为RE—O键的伸缩振动 ,佐证了配合物的形成 ;硝基中的氧和偶氮的氮原子未参与配位 ;IR还说明有两个水分子配位于稀土离子。紫外灯下可以看到Eu(Ⅲ )的配合物很强的红色荧光 ;荧光光谱测定 :Na[EuL2 ]·2H2 O有两个荧光发射峰分属于Eu的 5D0 → 7F1和5D0 → 7F2 跃迁。     

2,6-二氨基吡啶衍生物作为过渡金属离子荧光探针的研究

2,6-二氨基吡啶(DAPD)衍生物都有较强的荧光。除DMHND(2,4-二甲基-7-羟基-1,8-萘啶)外,2,4-二甲基-7-胺基-1,8-萘啶(DMAND)和2,4-二甲基-7-丙烯酰胺基-1,8-萘啶(DMAAN)在加入过渡金属离子后,荧光强度增强,发射光谱红移,可以作为过渡金属离子的荧光探针。根据Irving-Williams顺序,以过渡金属中络合能力较强的Cu2+为代表,求算了DMAND和DMAAN与Cu2+的结合比,通过非线性拟合计算了结合常数,比较了它们与金属离子结合的强弱,DMAND较DMAAN为更灵敏的过渡金属离子荧光探针。     

Electronic model for CoO2 layer based systems: chiral resonating valence bond metal and superconductivity

Takada et al. have reported superconductivity in layered Na(x)CoO(2)yH(2)O (T(c) approximately equal to 5 K). We model a reference neutral CoO2 layer as an orbitally nondegenerate spin-1/2 antiferromagnetic Mott insulator on a triangular lattice and Na(x)CoO(2)yH(2)O as electron doped Mott insulators described by a t-J model. It is suggested that at optimal doping chiral spin fluctuations enhanced by the dopant dynamics lead to a gapful d-wave superconducting state. A chiral resonating valence bond (RVB) metal, a parity and time (PT) reversal violating state with condensed RVB gauge fields, with a possible weak ferromagnetism, and low temperature p-wave superconductivity are also suggested at higher dopings.     

Soft phonon, dynamical fluctuations, and a reversible phase transition: indium chains on silicon

The In/Si(111)-(4 x 1) surface is a paradigmatic example of a quasi-one-dimensional system showing a reversible structural and electronic (metal-insulator) phase transition when the temperature is lowered. In this work, we use first-principles simulation techniques to uncover the atomic and electronic origin of this controversial transition. Our calculations show that the ground state consists of insulating (4 x 2) indium chains with a weak interchain coupling that induces opposite shear distortions in alternate chains. First-principles molecular dynamics simulations show that the (4 x 1) <--> (8 x 2) phase transition is due to the "dynamical fluctuations" the system undergoes when, at high temperature, it fluctuates chaotically between degenerate ground states. The metallicity of the In/Si(111)-(4 x 1) surface is related to the low energy cost for the shear distortion.     

Relative photodissociation cross-section of NaCs molecule,using argon ion laser lines

Laser-induced photodissociation of NaCs molecule has been observed when a mixture of Na and Cs metal vapour in a glass cell was irradiated by most of the lines of an argon ion laser. The photodissociation results in the 3P state of Na atoms which is correlated with theF ¹Σ⁺ and G¹π molecular states of NaCs. Distribution of photofragments over fine structure components 3² P _3/2 and 3² P _1/2 of Na has been studied. The ratio of intensity ofD ₂ line (5890 Å) toD ₁ line (5896 Å) of Na varies from around 2 at 5145 Å to about 3.5 at 4579 Å. The relative photodissociation cross-section increases monotonically as the wave-length of laser light decreases from 5145 Å to 4579 Å. It is seen that the 4579 Å photon is about 200 times more effective than the 5145 Å photon in causing the photoreaction NaCs + (Ar⁺ photon) → Na*(3P) + Cs(6S).     

Nesting, spin fluctuations, and odd-gap superconductivity in NaxCoO2.yH2O

We calculated the one-electron susceptibility of hydrated NaxCoO2 and find strong nesting, involving about 70% of all electrons at the Fermi level and nearly commensurate with a 2 x 2 superstructure. This nesting creates a tendency to a charge density wave compatible with the charge order often seen at x approximately 0.5 and usually ascribed to electrostatic repulsion of Na ions. In the spin channel, it leads to strong spin fluctuations, which should be important for superconductivity. The state most compatible with this nesting structure is an odd-gap triplet s-wave state.     

Iteration wave function for describing the (e, 2e) spectrum of the helium atom

The wave function of the ground state of the helium atom is derived by the variational-iteration technique with the Hylleraas-Eckart momentum representation of the wave function as a first approximation. This function is used to calculate the ratios of the differential cross sections (n=2)/(n=1) and (2p)/(2s) for helium ionized by an electron impact. The calculation is conducted in the plane-wave impulse approximation for symmetric noncoplanar kinematics of the (e, 2e) process. The results are compared with previous calculations in which variational wave functions of the configurational interaction type were used. Good agreement with the existing experimental data for (n=2)/(n=1) is obtained. The results are generalized to helium ions.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 45–50, December, 1986.     

Electronic correlations in CoO2, the parent compound of triangular cobaltates

A 59Co NMR study of CoO2, the x=0 end member of AxCoO2 (A=Na,Li,...) cobaltates, reveals a metallic ground state, though with clear signs of strong electron correlations: low-energy spin fluctuations develop at wave vectors q not equal to 0 and a crossover to a Fermi-liquid regime occurs below a characteristic temperature T* approximately 7 K. Despite some uncertainty over the exact cobalt oxidation state in this material, the results show that electronic correlations are revealed as x is reduced below 0.3. The data are consistent with NaxCoO2 being close to the Mott transition in the x-->0 limit.     

Modern aspects of plastic deformation in metals

After a historical survey of crystal plasticity the rôle of dislocations in plastic deformation of metals is outlined. The theory of plastic deformation in metal single crystals before the impact of transmission electron microscopy is described. Recent experimental results on glide and workhardening in single crystals of b.c.c. metals are reviewed and explained by a simple dissociation model of the screw-dislocation cores. A relative success of this explanation together with calculations of atomic structure of dislocation cores support the conclusion that different structures of screw dislocation cores are responsible for both differences and similarities between plastic behaviour of f.c.c. and b.c.c. metals. Further developments in the field of metal crystal plasticity by modern experimental techniques (transmission electron microscopy of deformed crystals in the stress-applied state, magnetic studies of dislocations in ferromagnetic crystals) and by atomic calculations of defect configurations are discussed.Na Slovance 2, Praha 8, Czechoslovakia.Invited paper presented on a plenary session of the First European Conference on the Physics of Condensed Matter organized by the Board of the Condensed Matter Division of E.P.S., in Florence on 14–17 September 1971 (Chairman: Prof. S. F. Edwards; Schuster Laboratory, University of Manchester).     

Nodal d + id pairing and topological phases on the triangular lattice of Na(x)CoO(2).yH(2)O: evidence for an unconventional superconducting state

We show that finite angular momentum pairing chiral superconductors on the triangular lattice have point zeroes in the complex gap function. A topological quantum phase transition takes place through a nodal superconducting state at a specific carrier density x(c) where the normal state Fermi surface crosses the isolated zeros. For spin-singlet pairing, we show that the second-nearest-neighbor (d+id)-wave pairing can be the dominant pairing channel. The gapless critical state at x (c) approximately 0.25 has six Dirac points and is topologically nontrivial with a T3 spin relaxation rate below T(c). This picture provides a possible explanation for the unconventional superconducting state of Na(x)Co O(2). yH(2)O. Analyzing a pairing model with strong correlation using the Gutzwiller projection and symmetry arguments, we study these topological phases and phase transitions as a function of Na doping.     

泵浦靶辐射X射线特性研究

为探索和研究新的X光激光泵浦机制,我们研究了泵浦靶辐射X射线特性。先后在“星光”和“神光”激光装置上开展了该项工作。主要介绍“神光”装置上的实验工作。实验所用泵浦靶材料为Na/F和Cu。实验给出了Na/F和Cu靶辐射X射线谱(波长范围分别为1.1～1.5nm,1.1～1.3nm);给出了X射线相对强度随激光功率密度及靶厚度的变化情况。并比较了靶前、后X射线相对强度。同时,实验还给出了线状泵浦源辐射X射线的空间分布。     

钙钛矿型稀土锰氧化物La2/3Ca1/3MnO3中Mn位的Ti替代效应

研究了钙钛矿型锰氧化物La_2/3Ca_1/3Mn_1-xTi_xO₃(0≤x≤0.3)的结构、磁性和输运性质.发现Ti替代Mn强烈地抑制了La_2/3Ca_1/3MnO₃的铁磁性和金属电导,并很大地提高了磁电阻值.在低掺杂情况下(x≤0.04),1%的Mn被Ti替代,居里温度T_C和金属-绝缘体转变温度T_p分别平均下降了31和26.5K.当x=0.06时,铁磁态过渡为团簇玻璃态,并在x=0.20时完全变为自旋玻璃态.指出由于Ti的掺入而引起的磁稀释作用以及局域晶格畸变是产生上述结果的主要原因. 关键词：     

Isotope effects in the interaction of hydrogen and deuterium with a rhodium (110) surface

The adsorption of H₂ and D₂ on a Rh (110) surface at 100 K leads to a sequence of ordered phases, among others 1×2 phases at _H =0.5 and at _H =1.5 which likely involve a partial surface reconstruction consisting of a small perpendicular displacement of Rh surface atoms. The structure of the adsorbate phases is strongly correlated with the binding energy of the adsorbed phases. Three H (D) binding states (₁,₂ and) are populated at saturation as determined by thermal desorption spectroscopy (TDS). Whereas the peak temperature of the state is invariant with the hydrogen isotope, the D ₁ state appears at a 8 Klower and theD ₂ state at a 5 Khigher temperature than the respective H states. Generally the D phases exhibit a better long-range order than the H phases. The rate of adsorption is identical for the first three adsorbed phases but D₂ adsorbs appreciably faster in the 1×2–3H and the final l×1–2H phases.Zero point energy effects as well as a H coverage dependent local interaction model could account for the observed effects.     

四种新型仲胺配合物的合成、表征及与ct-DNA相互作用的光谱研究

合成了新型仲胺类配体L(N,N’-二(4-甲基苄基)乙二胺)及其四种过渡金属的硝酸盐配合物,[ML2(H2O)2]2+.2NO3-(M=CuⅡ,CoⅡ,NiⅡ,ZnⅡ),利用元素分析、红外、1H NMR等对其结构进行了表征,其中用X-ray单晶衍射解析了Cu-L单晶结构,为波谱分析推测的分子结构进行了验证。通过紫外、荧光光谱研究了该四种金属配合物与小牛胸腺DNA的相互作用,结果表明配合物与DNA的作用方式均为静电结合,Cu-L,Co-L,Ni-L,Zn-L与DNA的结合常数分别为:1.67×103,2.5×103,1.35×103和9.85×102。