Electronic structure of Sr2FeMoO6

We have analyzed the unusual electronic structure of Sr2FeMoO6 combining ab initio and model Hamiltonian approaches. Our results indicate that there are strong enhancements of the intra-atomic exchange strength at the Mo site as well as the antiferromagnetic coupling strength between Fe and Mo sites. We discuss the possibility of a negative effective Coulomb correlation strength ( U(eff)) at the Mo site due to these renormalized interaction strengths.     

Exact bond ordered ground state for the transition between the band and the Mott insulator

We derive an effective Hamiltonian H(eff) for an ionic Hubbard chain, valid for tt) and the Mott insulator (MI) (U-Delta>t). Using spin-particle transformations [Phys. Rev. Lett. 86, 1082 (2001)]], we map H(eff)(U=Delta) into an SU(3) antiferromagnetic Heisenberg model whose exact ground state is known. In this way, we show rigorously that a spontaneously dimerized insulating ferroelectric phase appears in the transition region between the BI and the MI.     

Scaling analysis of domain-wall free energy in the Edwards-Anderson Ising spin glass in a magnetic field

The stability of the spin-glass phase against a magnetic field is studied in the three- and four-dimensional Edwards-Anderson Ising spin glasses. Effective couplings J(eff) and effective fields H(eff) associated with length scale L are measured by a numerical domain-wall renormalization-group method. The results obtained by scaling analysis of the data strongly indicate the existence of a crossover length beyond which the spin-glass order is destroyed by field H. The crossover length well obeys a power law of H which diverges as H --> 0 but remains finite for any nonzero H, implying that the spin-glass phase is absent even in an infinitesimal field. These results are well consistent with the droplet theory for short-range spin glasses.     

Surface wetting of liquid nanodroplets: droplet-size effects

The spreading of liquid nanodroplets of different initial radii R0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on Cu(111), which is nonwetting, and a coarse-grained polymer model, which wets the surface, are presented for Pb droplets ranging in size from approximately 55,000 to 220,000 atoms and polymer droplets ranging in size from approximately 200,000 to 780 000 monomers. In both cases, a precursor foot precedes the spreading of the main droplet. This precursor foot spreads as r(2)(f)(t) = 2D(eff)t with an effective diffusion constant that exhibits a droplet-size dependence D(eff) approximately R(1/2)(0). The radius of the main droplet r(b)(t) approximately R(4/5)(0) is in agreement with kinetic models for the cylindrical geometry studied.     

钼（钨）─铜─硫─二烷基二硫代甲酸根原子簇化合物的核磁共振研究

用１Ｈ、１３Ｃ、９５ＭｏＮＭＲ技术研究了一系列Ｍｏ（Ｗ）—ＣＯ—Ｓ一ｄｔｃ原子簇化合物，并用动态９５ＭｏＮＭＲ技术跟踪了ＭｏＯｎＳ４（ｎ＝０，２），ＣｕＣｌ，Ｒ２ｄｔｃ（Ｒ２＝Ｍｅ２，Ｅｔ２）几个反应，在此基础上推导了该系列化合物的形成机理．     

含ME4(M＝Mo,W;E＝S,Se)单元簇合物的合成和红外谱表征

合成了一系列单立方烷Ｍ－Ｆｅ－Ｓｅ和Ｍ－Ｃｕ（Ａｇ）－Ｓ（Ｓｅ）簇合物,并用ＵＶ,ＩＲ和Ｘ－光衍射等方法对上述簇合物进行了分析。     

Fermi surface and quasiparticle dynamics of Na0.7CoO2 investigated by angle-resolved photoemission spectroscopy

We present the first angle-resolved photoemission study of Na0.7CoO2, the host material of the superconducting NaxCoO2.nH(2)O series. Our results show a hole-type Fermi surface, a strongly renormalized quasiparticle band, a small Fermi velocity, and a large Hubbard U. The quasiparticle band crosses the Fermi level from M toward Gamma suggesting a negative sign of effective single-particle hopping t(eff) (about 10 meV) which is on the order of magnetic exchange coupling J in this system. Quasiparticles are well defined only in the T-linear resistivity (non-Fermi-liquid) regime. Unusually small single-particle hopping and unconventional quasiparticle dynamics may have implications for understanding the phase of matter realized in this new class of a strongly interacting quantum system.     

Absolute Line Intensities for the nu6 Band of H2O2

The purpose of this work was to obtain reliable absolute intensities for the nu6 band of H2O2. It was undertaken because strong discrepancies exist between the different nu6 band intensities which are presently available in the literature (A. Perrin, A. Valentin, J.-M. Flaud, C. Camy-Peyret, L. Schriver, A. Schriver, and P. Arcas, J. Mol. Spectrosc. 1995. 171, 358), (R. May, J. Quant. Radiat. Transfer 1991. 45, 267), and (R. L. Sams, personal communication). The method which was chosen in the present work was to measure simultaneously the far-infrared absorptions and the nu6 absorptions of H2O2. Consequently, Fourier transform spectra of H2O2 were recorded at Giessen in a spectral range (370-1270 cm-1) which covers both the R branch of the torsion-rotation band and the P branch of the nu6 band which appear at low and high wavenumbers, respectively. From the low wavenumber data, the partial pressure of H2O2 present in the cell during the recording of the spectra was determined by calibrating the observed absorptions in the torsion-rotation band with intensities computed using the permanent H2O2 dipole moment measured by Stark effect (A. Perrin, J.-M. Flaud, C. Camy-Peyret, R. Schermaul, M. Winnewisser, J.-Y. Mandin, V. Dana, M. Badaoui, and J. Koput, J. Mol. Spectrosc. 1996. 176, 287-296) and [E. A. Cohen and H. M. Pickett, J. Mol. Spectrosc. 1981. 87, 582-583). In the high frequency range, this value of the partial pressure of H2O2 was used to measure absolute line intensities in the nu6 band. Finally, the line intensities in the nu6 band were fitted using the theoretical methods described in detail in our previous works. Using these new results on line intensities together with the line position parameters that we obtained previously, a new synthetic spectra of the nu6 band was generated, leading to a total band intensity of 0.185 x 10(-16) cm-1/(molecule.cm-2) at 296 K. It has to be pointed out that the new line intensities agree to within the experimental uncertainties with the individual line intensity measurements performed previously by May and by Sams. Copyright 1999 Academic Press.     

Flux flow of Abrikosov-Josephson vortices along grain boundaries in high-temperature superconductors

Low-angle grain boundaries (GBs) in superconductors exhibit intermediate Abrikosov vortices with Josephson cores, whose length l along GB is smaller than the London penetration depth, but larger than the coherence length. We found an exact solution for a periodic vortex structure moving along GBs in a magnetic field H and calculated the flux flow resistivity R(F)(H), and the nonlinear voltage-current characteristics. The predicted R(F)(H) dependence describes well our experimental data on 7 unirradiated and irradiated YBa(2)Cu(3)O(7) bicrystals, from which the core size l(T), and the intrinsic depairing density J(b)(T) on nanoscales of a few GB dislocations were measured for the first time. The observed J(b)(T) = J(b0)(1-T/T(c))(2) indicates a significant order parameter suppression on GB.     

Prospects for underground accelerator research

A summer institute was convened at the Gran Sasso Laboratory (Italy), 27. June to 7. July 1994, in part to explore the advantages of an accelerator laboratory deep underground, particularly for crucial nuclear-astrophysics measurements presently limited at low energies by cosmic-ray backgrounds. Here we review specific reactions identified as needing further study in a low-background environment, and outline suitable facilities to carry out such studies.The authors would like to thank P. Aguer, C. Angulo, R.E. Azuma, R.N. Boyd, C. Broggini, E. Cecil, P. Corvisiero, C. Czerski, P. Descouvemont, H. Dzitko, U. Greife, J.W. Hammer, F. Käppeler, J. Kiener, J. Lambert, Ch. Leclerc-Willain, Th. Paradellis, W.S. Rodney, T. Shoppa, A. Shotter, E. Somorjai, F. Terrasi, H.P. Trautvetter, M. Wiescher and other colleagues for their contributions and discussions during the summer insitute, which are in part included in this report.     

Complete two-loop electroweak fermionic corrections to the effective leptonic weak mixing angle sin2theta(lept)eff and indirect determination of the Higgs Boson Mass

We present a complete calculation of the contributions to the effective leptonic weak mixing angle, sin((2)theta;(lept)(eff), generated by closed fermion loops at the two-loop level of the electroweak interactions. This quantity is the source of the most stringent bound on the mass M(H) of the standard model Higgs boson. The size of the corrections with respect to known partial results varies between -4 x 10(-5) and -8 x 10(-5) for a realistic range of M(H) from 100 to 300 GeV. This translates into a shift of the predicted (from sin((2)theta;(lept)(eff) alone) central value of M(H) by +19 GeV, to be compared with the shift induced by a recent change in the measured top quark mass which amounts to +36 GeV.     

Investigation of electron lifetimes in molybdenum with dilute substitutional impurities

We have measured the electronic lifetimes of the systems Mo(W), Mo(Ru), Mo(Fe) and Mo(U). The concentrations were ≈ 370PPM, 70PPM, 20PPM, and 50PPM respectively. For the first three systems, only the hole octahedron centered atH was investigated thoroughly for all angles and the data inverted to get point lifetimes. For Mo(U) the investigation was done over the entire Fermi surface with the aid of an on-line PDP 11/20 mini-computer. Only selective points were used on other pieces of the Fermi surface in order to avoid problems with degenerate frequencies. A careful determination of the effective masses was also made at all angles under investigation. The masses were found to be in disagreement with those of Leaver and Meyers (these masses were used in our orginal investigation) by as much as 20% in some orientations. The electronic lifetimes were nearly isotropic on the hole octahedron in all the alloy systems investigated. In Mo(U) the isotropy was found to extend to all thed-like surfaces. Only thes-p-like hole ellipsoids centered atN possibly have a substantially different lifetime, but its measurement is inaccurate due to beats from degenerate and many close-lying frequencies.     

Investigation of electron lifetimes in molybdenum with dilute substitutional impurities

We have measured the electronic lifetimes of the systems Mo(W), Mo(Ru), Mo(Fe) and Mo(U). The concentrations were 370PPM, 70PPM, 20PPM, and 50PPM respectively. For the first three systems, only the hole octahedron centered atH was investigated thoroughly for all angles and the data inverted to get point lifetimes. For Mo(U) the investigation was done over the entire Fermi surface with the aid of an on-line PDP 11/20 mini-computer. Only selective points were used on other pieces of the Fermi surface in order to avoid problems with degenerate frequencies. A careful determination of the effective masses was also made at all angles under investigation. The masses were found to be in disagreement with those of Leaver and Meyers (these masses were used in our orginal investigation) by as much as 20% in some orientations. The electronic lifetimes were nearly isotropic on the hole octahedron in all the alloy systems investigated. In Mo(U) the isotropy was found to extend to all thed-like surfaces. Only thes-p-like hole ellipsoids centered atN possibly have a substantially different lifetime, but its measurement is inaccurate due to beats from degenerate and many close-lying frequencies.Work performed under the auspices of the U. S. Atomic Energy Commission.     

若干具有[（PO4）4Mo6^VO15]^12^-簇骼的化合物的光谱研究

Five novel organic-molybdenum phosphates with [(PO4)4Mo6(V)O15]12- cluster, Na x (H4TETA)3 x (H3O)5 x {Zn[(HPO4)2(PO4)2Mo6O15]2} (2), (H2en)7 x (H3O)4 x {Cu[(HPO4)2(PO4)2Mo6O15]2} x H2O (3), (H3DETA)2 x (H3O)3 x {Co0.5[(HPO4)2(PO4)2Mo6O15]} x H2O (4), [Co(H3TETA)]2{Co0.5[(HPO4)(PO4)3Mo6O15] x 3.5H2O (5) and (H3DETA) x (H3O)4 x {Co1.5 [(HPO4)2(PO4)2Mo6O15]} x 0.5H2O (6), have been synthesized. The relationship between their properties and structures was studied by using FTIR, NIR FT-Raman, UV-Vis DRS and fluorescence etc. In these compounds, every two [(PO4)4Mo6O15] clusters are coordinated by a metal atom to form a {M[(PO4)4Mo6O15]2} dimer. In compound 2, 3 and 4, {M[(PO4)4Mo6O15]2} dimers are hydrogen-bonded by the organic molecules and water molecules to form a three-dimensional expended framework, respectively. In compound 5 and 6, {Co[(PO4)4Mo6O15]2} dimers are coordinated by [Co(H3TETA)] groups and [CoO4] tetrahedra to form a network, respectively. These characteristic vibrational frequencies of the molybdenum phosphates are related to the structure of these compounds. Three characteristic bands in UV-Vis DRS spectra of these compounds have to be attributed to the absorptions of O(d) --> Mo, O(mu) --> Mo and O --> M charge transfer, respectively. These compounds exhibit strong fluorescence emission bands at about 410 nm when excited by 240 nm, which are caused by O(mu) --> Mo charge transfer.     

Integrable spin chain for the SL(2,R)/U(1) black hole sigma model

We introduce a spin chain based on finite-dimensional spin-1/2 SU(2) representations but with a non-Hermitian "Hamiltonian" and show, using mostly analytical techniques, that it is described at low energies by the SL(2,R)/U(1) Euclidian black hole conformal field theory. This identification goes beyond the appearance of a noncompact spectrum; we are also able to determine the density of states, and show that it agrees with the formulas in [J. Maldacena, H. Ooguri, and J. Son, J. Math. Phys. (N.Y.) 42, 2961 (2001)] and [A. Hanany, N. Prezas, and J. Troost, J. High Energy Phys. 04 (2002) 014], hence providing a direct "physical measurement" of the associated reflection amplitude.     

含O3MoS3单元的配合物[Mox（CO）y（O,S—C6H4—1,2）3FezLm[^n—（x=1,2或3,y=0,3

用红外光谱研究标题配合物的结构,得到了很有意义的结果。     

若干具有[(PO4)2Mo5O15]簇骼的化合物的光谱研究

本文对所合成的具有 [(PO4 ) 2 Mo5O1 5]簇骼的 3种新颖的有机 磷钼酸盐簇合物(NH3CH2 CH2 NH3) 2 5[(PO4 ) (HPO4 )Mo5O1 5]·7 5H2 O (Ⅰ ) ,(H3NCH2 CH2 NH3) 3·[(PO4 ) 2 Mo5O1 5]·3H2 O (Ⅱ )和(H3NCH2 CH2 NH3) 2 ·[Cu(en) ][(PO4 ) 2 Mo5O1 5]·5H2 O (Ⅲ )用FTIR ,NIR Raman ,紫外 可见漫反射光谱 (UV VisDRS)和荧光光谱等研究手段 ,对其进行光谱研究 ,探讨其结构和性能的关系。在这些化合物中 ,化合物Ⅰ和Ⅱ具有孤立的 [(PO4 ) 2 Mo5O1 5]簇骼基元 ,而化合物Ⅲ的 [(PO4 ) 2 Mo5O1 5]簇骼基元是由 [Cuen]基团桥联成链 ;磷钼酸盐的特征振动频率和这些化合物的结构相关 ;UV VisDRS显示 ,在 2 0 0和 2 6 0nm左右有两个杂多化合物的特征吸收谱带 ;化合物的稳态荧光光谱中 ,观察到以 2 4 0nm激发 ,在大约 4 0 0nm附近出现的由金属氧簇Oμ→Mo跃迁激发所引起的较强的发射峰 ,在化合物 (Ⅲ )中 ,还观察到通过 [Cuen]的荷移跃迁的以 5 70nm激发所产生的 6 0 4nm的发射峰。     

PEG-Na2SO4-PAR体系中Pd(Ⅱ)、U(Ⅵ)、Mo(Ⅵ)的萃取分离

本文研究了在聚乙二醇－２０００（ＰＥＧ）－硫酸钠（Ｎａ２ＳＯ４）－４－（２－吡啶偶氮）－间苯二酚（ＰＡＲ）体系中,Ｐｄ（Ⅱ）、Ｕ（Ⅵ）、Ｌａ（Ⅲ）、Ｍｏ（Ⅵ）的萃取行为。实验结果表明,在ｐＨ４．５￣７．５溶液中,Ｐｄ（Ⅱ）、Ｕ（Ⅵ）、可被ＰＥＧ相几乎完全萃取,Ｌａ（Ⅲ）部分被萃取,而Ｍｏ（Ⅵ）则不被蔺取,从而实现了Ｍｏ（Ⅵ）与Ｐｄ（Ⅱ）、Ｕ（Ⅵ）混合离子间的定量分离,并初步探讨了ＰＥＧ相的萃取机理     

Effects of reflecting layers on resonance characteristics of a solidly mounted resonator with ¼ λ mode configuration

The solidly mounted resonator (SMR) is composed of a piezoelectric thin film sandwiched between two electrodes and a Bragg reflector that comprises alternating high and low acoustic impedance with a thickness of a quarter wavelength. In this study, the combination Mo/SiO₂ is chosen as high/low acoustic impedance materials to form a Bragg reflector; aluminum nitride (AlN) is utilized as the piezoelectric layer. The purpose of this study is to investigate the resonance characteristics of solidly mounted resonators with various pairs of reflecting layers. The experimental results yield an electromechanical coupling (k_eff²)(k_{\mathrm{eff}}^{2}) of 1.926% and quality factor (Q) of 254 with three pairs of Mo/SiO₂ layers. The figure of merit (FOM), which is defined as the product of electromechanical coupling and quality factor, has a maximum of 489 with three pairs of Mo/SiO₂ layers.