Strong correlations in YH(3-delta) evidenced by Raman spectroscopy

Temperature dependent Raman measurements on insulating YH(3-delta) thin films are reported. With increasing temperature we observe a huge broadening of a line corresponding to an yttrium mode. This particular mode is assigned to a breathing vibration of the yttrium atoms around an octahedral hydrogen position. The line broadening is discussed in terms of a coupling between this breathing mode and the electron excited from an octahedral H vacancy into the 4d conduction band of Y, corroborating the strong correlation models for the electronic structure of YH3.     

Flux-flow resistivity anisotropy in the instability regime of the a-b plane of epitaxial superconducting YBa2Cu3O7-delta thin films

Measurements of the nonlinear flux-flow resistivity rho and the critical vortex velocity vphi* at high voltage bias close to the instability regime predicted by Larkin and Ovchinnikov (Z. Eksp. Teor. Fiz 68, 1915 (1975) [Sov. Phys. JETP 41, 960 (1976)]) are reported along the node and antinode directions of the d-wave order parameter in the a-b plane of epitaxial YBa2Cu3O7-delta films. In this pinning-free regime, rho and vphi* are found to be anisotropic with values in the node direction larger on average by 10% than in the antinode direction. The anisotropy of rho is almost independent of temperature and field. We attribute the observed results to the anisotropic quasiparticle distribution on the Fermi surface of YBa2Cu3O7-delta.     

Electron,Phonon, and Superconducting Properties of Yttrium and Sulfur Hydrides under High Pressures

Journal of Experimental and Theoretical Physics - We have analyzed the electron, phonon, and superconducting properties of binary hydrides YH6, H3S, YH10, UH10, and CaH10, as compared to the...     

PdH、YH体系的结构与氢化反应的平衡压力

用相对论有效原子实势(RECP/SDD)和密度泛函(B3LYP)方法对PdH、YH体系的结构进行了优化,同时用Murrell-Sorbie函数导出PdH、YH分子的势能函数和光谱常数;得到PdH分子的基态为X2∑+,RPdH=0.154 1 nm,离解能De=2.511 eV,谐振频率ωe=2 019.458 9 cm-1;YH分子的基态为X1∑+,RYH=0.191 9 nm,离解能De=4.308 eV,谐振频率ωe=1 497.531 2 cm-1;并得到一键长为0.200 3nm,De=3.488 eV,ωe=1 309.318 2 cm-1的YH分子激发态.并根据以分子总能量中的振动能Ev代替固态能量,以电子和振动熵SEv代替固态熵的近似方法,计算了不同温度下Pd、Y与H2、D2、T2反应的一氢化物热力学函数△Hθ、△Gθ、△Sθ及氢化反应平衡压力,导出了与温度的依赖关系,结果表明:PdH(S)的生成焓为32.05kJ·md-1,与实验值37.30kJ·mol-1接近,YH(S)的生成焓为70.21 kJ·mol-1.     

DIET in the bulk: evidence for hot electron cleavage of Si---H bonds in SiO2 films

The observed increase in leakage current through SiO₂ films after hot electron exposure is ascribed to dissociation induced by electronic transitions (“DIET”) of bulk Si---H bonds, producing mobile hydrogen. We use ab initio supercell bandstructure calculations at the local density functional level to locate features produced by hydrogen-containing defects in -SiO₂. The edge of the Si---H σ* resonance is found to be about 2.7 eV above the conduction band rise, in good agreement with the observed threshold for hot electron induced damage in amorphous SiO₂ films grown on Si substrates. The O---H σ* resonance is almost 4 eV higher. Removing H from O---H in the supercell does not affect the gap region (---O⁻ forms); however, removing H from Si---H produces a mid-gap state, suggesting leakage current by hopping conductivity between Si dangling bonds. A Morse potential model is used to explore the dynamics of bond scission by short-lived (<1 fs) hot electron σ* capture. Supercell calculations on interstitial atomic hydrogen indicate the energy cost to break an embedded Si---H bond is about 0.6 eV less than in the gas phase. The DIET yield is substantially increased by reducing both ground and electron-attached state binding by this amount. While uncertainty over the displaced equilibrium in the electron-attached excited state remains, the computed DIET cross-section for reasonable parameters is ≈10⁻¹⁸ cm², and is in agreement with the semi-empirically derived value for trap creation. Comparisons are made to surface DIET processes involving Si---H bonds.     

Diffusion and reactions of hydrogen in F2-laser-irradiated SiO2 glass

The diffusion and reactions of hydrogenous species generated by single-pulsed F2 laser photolysis of SiO-H bond in SiO2 glass were studied in situ between 10 and 330 K. Experimental evidence indicates that atomic hydrogen (H0) becomes mobile even at temperatures as low as approximately 30 K. A sizable number of H0 dimerize by a diffusion-limited reaction into molecular hydrogen (H2) that may migrate above approximately 200 K. Activation energies for the diffusion, inherently scattered due to the structural disorder in glass, are separated into three bands centered at approximately 0.1 eV for free H0, approximately 0.2 eV presumably for shallow-trapped H0, and approximately 0.4 eV for H2.     

Amorphous SiC film formation on Si(100) using electron beam excitation

The effect of electron impact on methylsilane (CH₃SiH₃) conversion to amorphous-Si_0.5C_0.5:H (a-Si_0.5C_0.5:H) films on Si(100) has been studied by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD), and low energy electron diffraction (LEED). It is found that electron impact greatly enhances CH₃SiH₃ decomposition on Si(100) at both 90 K and 300 K, resulting in a-Si_0.5C_0.5:H thin film formation. Thermal annealing of the film causes hydrogen desorption and amorphous silicon carbide (a-SiC) formation. Upon annealing to temperatures above 1200 K, the a-SiC film became covered by a thin silicon layer as indicated by AES studies. Ordered structures are not produced by annealing the a-SiC up to 1300 K.     

Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

The potential energy curves of the rare gas dimers He2, Ne2, and Ar2 have been computed using correlation consistent basis sets ranging from singly augmented aug-cc-pVDZ sets through triply augmented t-aug-cc-pV6Z sets, with the augmented sextuple basis sets being reported herein. Several methods for including electron correlation were investigated, namely Møller—Plesset perturbation theory (MP2, MP3 and MP4) and coupled cluster theory [CCSD and CCSD(T)]. For He2 CCSD(T)/d-aug-cc-pV6Z calculations yield a well depth of 7.35 cm-1 (10.58 K), with an estimated complete basis set (CBS) limit of 7.40 cm-1 (10.65 K). The latter is smaller than the 'exact' well depth (Aziz, R. A., Janzen, A. R., and Moldover, M. R., 1995, Phys. Rev. Lett., 74, 1586) by about 0.2 cm-1 (0.35 K). The Ne2 well depth, computed with the CCSD(T)/d-aug-cc-pV6Z method, is 28.31 cm-1 and the estimated CBS limit is 28.4 cm-1, approximately 1 cm-1 smaller than the empirical potential of Aziz, R. A., and Slaman, M., J., 1989, Chem. Phys., 130, 187. Inclusion of core and core—valence correlation effects has a negligible effect on the Ne2 well depth, decreasing it by only 0.04 cm-1. For Ar2, CCSD(T)/d-aug-cc-pV6Z calculations yield a well depth of 96.2 cm-1. The corresponding HFDID potential of Aziz, R. A., 1993, J. chem. Phys., 99, 4518 predicts of De of 99.7 cm-1. Inclusion of core and core-valence effects in Ar2 increases the well depth and decreases the discrepancy by approximately 1 cm-1.     

Effects of absorbed hydrogen on the electronic properties of (Zr2Fe)(1-x)H(x) metallic glasses

The electrical conductivity (σ) of hydrogen doped (Zr(2)Fe)(1-x)H(x) metallic glasses has been measured in the temperature range from 290 down to 5 K. The decrease of the room temperature conductivity and the increase of its temperature coefficient are explained as consequences of increased disorder due to hydrogen doping. σ(T) for (Zr(2)Fe)(1-x)H(x) metallic glasses at low temperatures decreases with the increase of temperature, forming a minimum at T(min), before it starts a monotonic increase with increasing temperature. Both the functional forms and the magnitudes of the observed σ(T) are interpreted in terms of weak localization, electron-electron interaction and spin-fluctuation effects. Our results reveal that the electron-phonon scattering rate varies with the square of temperature from low temperatures up to 100 K and changes behaviour to a linear form at higher temperatures. At low temperatures, the minimum in σ(T) is shifted to higher temperatures, which is ascribed to the increase of the screening parameter of the Coulomb interaction F* associated with the enhancement of the spin fluctuations arising from the increase of the hydrogen doping. The spin-orbit scattering rate and the electron diffusion constant are reduced by hydrogen doping.     

Maps of nonadiabatic coupling in triatomic hydrogen

We show in an experiment that dissociation of state-selected neutral H3* molecules into three ground-state hydrogen atoms reveals highly structured maps of correlation in the motion of the three atoms. These maps provide a direct view of the internal molecular couplings which initiate dissociation.     

Dimensional crossover of quantum critical behavior in CeCoIn5

The nature of quantum criticality in CeCoIn5 is studied by low-temperature thermal expansion alpha(T). At the field-induced quantum critical point at H = 5 T a crossover scale T* approximately 0.3 K is observed, separating alpha(T)/T proportional, variant T(-1) from a weaker T(-1/2) divergence. We ascribe this change to a crossover in the dimensionality of the critical fluctuations which may be coupled to a change from unconventional to conventional quantum criticality. Disorder, whose effect on quantum criticality is studied in CeCoIn(5-x)Sn(x) (0 < or = x < or = 0.18), shifts T* towards higher temperatures.     

NMR evidence for gapped spin excitations in metallic carbon nanotubes

We report on the spin dynamics of 13C isotope enriched inner walls in double-wall carbon nanotubes using 13C nuclear magnetic resonance. Contrary to expectations, we find that our data set implies that the spin-lattice relaxation time (T1) has the same temperature (T) and magnetic field (H) dependence for most of the inner-wall nanotubes detected by NMR. In the high-temperature regime (T approximately > or = 150 K), we find that the T and H dependence of 1/T1T is consistent with a 1D metallic chain. For T approximately < or = 150 K we find a significant increase in 1/T1T with decreasing T, followed by a sharp drop below approximately = 20 K. The data clearly indicate the formation of a gap in the spin excitation spectrum, where the gap value 2delta approximately = 40 K (congruent to 3.7 meV) is H independent.     

Spin dynamics of the S = 5/2 2D triangular antiferromagnet Ba3NbFe3Si2O14

We report pulse-field magnetization, ac susceptibility, and 100 GHz electron spin resonance (ESR) measurements on the S = 5/2 two-dimensional triangular compound Ba3NbFe3Si2O14 with the Néel temperature T(N) = 26 K. The magnetization curve shows an almost linear increase up to 60 T with no indication of a one-third magnetization plateau. An unusually large frequency dependence of the ac susceptibility in the temperature range of T = 20-100 K reveals a spin-glass behavior or superparamagnetism, signaling the presence of frustration-related slow magnetic fluctuations. The temperature dependence of the ESR linewidth exhibits two distinct critical regimes; (i) ΔH(pp)(T) is proportional to (T-T(N))(-p) with the exponent p = 0.2(1)-0.2(3) for temperatures above 27 K, and (ii) ΔH(pp)(T) is proportional to (T-T*)(-p) with T* = 12 K and p = 0.8(1)-0.8(4) for temperatures between 12 and 27 K. This is interpreted as indicating a dimensional crossover of magnetic interactions and the persistence of short-range correlations with a helically ordered state.     

Transverse Josephson plasma mode in T* phase SmLa(1-x)Sr(x)CuO(4-delta) single crystals

Far-infrared reflectivity along the c axis in T* phase SmLa(1-x)Sr(x)CuO(4-delta) single crystals is measured down to 8 cm(-1). Below T(c), the conductivity peak is observed at 25 cm(-1) for x = 0.15 ( T(c) = 30 K) along with two reflectivity edges at 13 and 27 cm(-1). The conductivity peak is attributed to the transverse Josephson plasma mode between two longitudinal Josephson plasma modes, while the oscillator strength of the peak is found to be smaller than that calculated using the Josephson-coupled multilayer model. The difference is explained by assuming that only a few junctions at the disordered (La,Sr)(2)O(2-delta) block layer take part in the plasma oscillation with omega(pI(')) = 27 cm(-1).     

Electron spin resonance in the spin-1/2 quasi-one-dimensional antiferromagnet with Dzyaloshinskii-Moriya interaction BaCu2Ge2O7

We have investigated the electron spin resonance (ESR) on single crystals of BaCu2Ge2O7 at temperatures between 300 and 2 K and in a large frequency band, 9.6-134 GHz, in order to test the predictions of a recent theory, proposed by Oshikawa and Affleck (OA) [Phys. Rev. Lett. 82, 5136 (1999)]], which describes the ESR in a spin-1/2 Heisenberg chain with the Dzyaloshinskii-Moriya interaction. We find, in particular, that the ESR linewidth, Delta H, displays a rich temperature behavior. As the temperature decreases from T(max)/2 approximately 170 to 50 K, Delta H shows a rapid and linear decrease, Delta H approximately T. At low temperatures, below 50 K, Delta H acquires a strong dependence on the magnetic field orientation and for H axially c it shows a (h/T)(2) behavior which is due to an induced staggered field h, according to OA's prediction.     

Effect of Silane Pressure on Silane-Hydrogen RF Glow Discharges

The intensity and time dependence of optical emission from silane and silane-hydrogen radio-frequency (RF) discharges have been measured as a function of silane pressure (0.05-1.0 torr). The rate of emission of H* and Si* resulting from dissociative excitation was found to decrease with increasing silane pressure in a manner consistent with a similar decrease in average electron energy. Results from a Monte Carlo plasma simulation code were used to compute the rate of optical emission. Comparison of theory and experiment shows good agreement for emission intensities and confirms for discharges operating at constant pressure and power density a decrease in electron density and average electron energy with increasing silane partial pressure in mixtures of silane and hydrogen. The time-dependent spatially averaged emission intensity of H* is experimentally nonsymmetric with a shape that is a systematic function of silane partial pressure. This systematic behavior is reproduced by the plasma simulation and is attributed to the change in the dc bias of the powered electrode, which becomes less negative with increasing silane partial pressure.     

高压下富氢高温超导体的研究进展

近年来,高压强极端条件下的富氢化合物成为高温超导体研究的热点目标材料体系.该领域目前取得了两个标志性重要进展,先后发现了共价型H3S富氢超导体(Tc=200 K)和以LaH10(Tc=260 K,–13℃),YH6,YH9等为代表的一类氢笼合物结构的离子型富氢超导体,先后刷新了超导温度的新纪录.这些研究工作燃发了人们在高压下富氢化合物中发现室温超导体的希望.本文重点介绍高压下富氢高温超导体的相关研究进展,讨论富氢化合物产生高温超导电性的物理机理,展望未来在富氢化合物中发现室温超导体的可能性并提出多元富氢化合物候选体系.     

Electronic transport in underdoped YBa2Cu3O7-delta nanowires: evidence for fluctuating domain structures

We have measured the transport properties of a series of underdoped YBa(2)Cu(3)O(7-delta) nanowires fabricated with widths of 100-250 nm. We observe large telegraphlike fluctuations in the resistance between the pseudogap temperature T* and the superconducting transition temperature T(c), consistent with the formation and dynamics of a domain structure. We also find anomalous hysteretic steps in the current-voltage characteristics well below T(c).     

VHF-PECVD低温制备微晶硅薄膜的拉曼散射光谱和光发射谱研究

采用拉曼散射光谱和PR650光谱光度计对VHF-PECVD制备的微晶硅薄膜进行了结构表征和在线监测研究.结果表明：功率对材料的晶化率（χc）有一定的调节作用，硅烷浓度大，微调作用更明显；SiH*的强度只能在一定的范围内表征材料的沉积速率，功率大相应的速率反而下降；I［Hα*］/I［SiH*］强度比值反映了材料晶化程度，此结果和拉曼散射光谱测试结果显示出一致性；I［Hβ*］/I［Hα*］的强度比表明氢等离子体中的电子温度随功率的增大而逐渐降低. 关键词： 甚高频等离子体增强化学气相沉积 微晶硅 拉曼散射谱 光发射谱     

High-energy spin excitations in the electron-doped superconductor Pr(0.88)LaCe(0.12)CuO(4-delta) with T(c) = 21 K

We use high-resolution inelastic neutron scattering to study the low-temperature magnetic excitations of the electron-doping superconductor Pr(0.88)LaCe(0.12)CuO(4-delta) (T(c) = 21 +/- 1 K) over a wide energy range (4 meV < or = homega < or = 330 meV). The effect of electron doping is to cause a wave vector (Q) broadening in the low-energy (homega < or = 80 meV) commensurate spin fluctuations at (0.5, 0.5) and to suppress the intensity of spin-wave-like excitations at high energies (homega > or = 100 meV). This leads to a substantial redistribution in the spectrum of the local dynamical spin susceptibility chi'(omega), and reveals a new energy scale similar to that of the lightly hole-doped YB2Cu3O(6.353) (T(c) = 18 K).