7Li2(X1Σ+g)分子的振动能级、转动惯量及离心畸变常数

使用密度泛函理论B3LYP和B3P86，以及组态相互作用方法CCSD(T)和QCISD, 利用多个基组对⁷Li₂(X¹Σ⁺_g)分子的平衡核间距(R_e)、谐振频率(ω_e)和离解能(D_e)进行了计算, 发现在CCSD(T)/cc-PVQZ理论水平下得到的结果(R_{e相似文献}   

薄膜型超导红外(光)探测器

在高Tc GdBaCuO超导薄膜上,采用光刻技术分别制成两种不同结构的辐射、热测量器件及2×4集成阵列式微桥器件红外(光)探测器.探测器芯片安装在STD-3型红外探测器杜瓦冷指上.用黑体及波长为0.6328μm的He-Ne激光器辐照器件,系统观测各种器件的特性,其中最好的结果:在10Hz时的噪音等效功率NEP(500,10,1)=3.6×10^-12 WH_z^1/2;探测率D^*(500,10,1)=1.6×10¹⁰ cmH_z^1/2W^-1;响应率R_v=8.2×103VW^-1.另外,多元串接微桥器件出现的多台阶式的特性,可望在红外探测计量及高频方面获得重要应用.     

O2分子吸附的金属表面的O2(1Δg)猝灭

建立了一套流动装置测量单重态氧O₂(¹Δ_g)在O₂分子吸附的金属Cu、Cr、Ni和Ag表面的猝灭几率. 随实验时间和O₂(¹Δ_g)浓度增加,猝灭几率增加. 当上述金属样品在几帕斯卡的真空度下暴露数小时后猝灭几率会回到原先水平. 提出了一种基于表面吸附位上弱化学吸附的表面吸附氧分子O₂(¹∑_{g相似文献}   

Regarding the axial-vector mesons

The implications of the f₁(1285)-f₁(1420) mixing for the K₁(³P₁)- K₁(¹P₁) mixing angle are investigated. Based on the f₁(1285)-f₁(1420) mixing angle ∼ 50^° suggested from the analysis for a substantial body of data concerning the f₁(1420) and f₁(1285), the masses of the K₁(³P₁) and K₁(¹P₁) are determined to be ∼ 1307.35±0.63 MeV and 1370.03±9.69 MeV, respectively, which therefore suggests that the K₁(³P₁)- K₁(¹P₁) mixing angle is about ±(59.55±2.81)^°. Also, it is found that the mass of the h^′₁(¹P₁) (mostly of sˉ) state is about 1495.18±8.82 MeV. Comparison of the predicted results and the available experimental information of the h₁(1380) shows that without further confirmation on the h₁(1380), the assignment of the h₁(1380) as the sˉ member of the ¹P₁ meson nonet may be premature.     

Be9(d,p),(d,t),(d,a)反应研究

本文在E_d=0.1—2.5MeV能量范围内,研究了Be⁹(d,p₀)Be¹⁰(0),Be⁹(d,p₁)Be¹⁰(3.368MeV),Be⁹(d,t₀)Be⁸(0),Be⁹(d,α₀)Li⁷(0)及Be⁹(d,α₁)Li⁷(0.478MeV)诸反应。在E_d=0.150,0.220,0.401,0.706,1.005,1.301,1.484,1.750,2.000,2.250和2.500MeV共十一个能量上分别测量了这五群出射粒子在θ_L=10—155°区间的角分布。在θ_L=135°,E_d=0.1—2.5MeV,在θ_L=95°,E_d=0.1—2.2MeV,和在θ_L=112.5°,E_d=0.5—2.5MeV测量了Be⁹(d,p₀)Be¹⁰的激发函数。在θ_L=135°和112.5°,E_d=1.2MeV,用较厚靶(100—300μg/cm²)测量了Be⁹(d,p₀)Be¹⁰(0)反应的截面绝对值,结果为σ_(p0)(θ_L=135°)=1.60mb/sr,σ_(p0)(θ_L=112.5°)=1.55mb/sr。这样就得到了在此能区内,这五群出射粒子的截面情况。对所得结果进行了一些讨论。     

用扫描隧道显微镜观察石墨被Au离子轰击后的表面损伤

用扫描隧道显微镜研究石墨被Au离子轰击后的表面损伤。实验结果表明:用低剂量(1×10¹²ion/cm²)530keV的Au⁺和4.5MeV的Au⁺⁺均匀轰击石墨。在石墨表面所产生的最显著的损伤是单个入射Au离子造成的小丘,小丘的横向平均线度约为1.8nm。从高分辨的扫描隧道显微镜图象可以看出,这种损伤往往伴有多种形式的3^1/2×3^1/2R 30°的超结构(R为石墨的晶格常数)     

第Ⅱ种强度不等的两态叠加多模叠加态光场的等阶N次方H压缩1腔模总数与压缩阶数两者之积取偶数的情形

利用多模压缩态理论研究了第种强度不等的非对称两态叠加多模叠加态光场|Ψ_Ⅱ^(ab)〉q的等阶N次方H压缩特性.结果发现:1)当腔模总数q与压缩阶数N的乘积取偶数,亦即qN=2p时,无论p=2m(m=1,2,3,…,…),还是p=2m+1(m=0,1,2,3,…,…),只要各模的初始相位差(φ_j^(a)-φ_j^(b))、态间的初始相位差(θ_nq^(aR)-θ_nq^(bR))及光子干涉项的幅度 1R_j^(a)R_j^(b)等分别满足一定的条件,则态|Ψ_||^(ab)〉q的第一和第二正交分量总可分别呈现出周期性变化的等阶N次方H压缩效应.2)当qN=2p且p=2m+1(m=0,1,2,3,…,…)时,若构成态|Ψ_Ⅱ^(ab)〉q的两个不同的量子光场态中各对应模的强度(即平均光子数)和初始相位相等,亦即R_j^(a)=R_j^(b)和φ_j^(a)=φ_j^(b)(j=1,2,3,…,q),则态|Ψ_Ⅱ^(ab)〉q可呈现出“等阶N次方H压缩简并”现象.     

Ru(0001) 表面BaO吸附层的原子结构和氮分子的吸附性质

采用密度泛函理论研究了Ru(0001) /BaO表面的原子层结构和氮分子的吸附性质. 研究结果表明, 在低覆盖度下氧化钡倾向于以相同的构型形成Ru(0001) 表面原子层. 在此构型中, 氧原子位于表面p(1× 1) 结构的hcp谷位, 而钡原子则位于同一p(1× 1) 结构的顶位附近. 钌氧键键长等于0.209 nm, 比EXAFS的实验值大0.018 nm. 在Ru(0001) /BaO表面氮分子倾向吸附于钡原子附近. 相应位置的氮分子吸附能位于0.70到0.87 eV之间, 大于氧原子附近的氮分子吸附能. 钡原子附近的钌原子对氮分子具有更强的活化性能. 相应位置的氮分子拉伸振动频率等于1946 cm^{- 1}, 比氧原子附近的最大分子振动频率小约130 cm^-1. Ru(0001) /BaO表面氮分子键强度介于清洁Ru(0001) 和Ru(0001) /Ba表面之间. Ru(0001)/BaO表面不同位置的氮分子吸附性质差异是由钡和氧原子化学性质不同造成的. 表面钡原子的作用能够减少吸附氮分子的σ^*轨道电子密度, 增加π^*轨道电子密度, 从而增强氮分子和钌原子间的轨道杂化作用, 弱化氮分子键.     

激光光控超导YBa2Cu3Ox薄膜开关的研制

在对光控热电效应开关进行理论分析的基础上,木文提出用YBa₂Cu₃O_x薄膜制作光控开关,并测试了在液氮温度下薄膜开关在不同激光波长下的特征参数,测试的最好结果是响应度R_v(632.8nm,10kHz,1Hz)为217V/W,归一化探测率D_*(632.8nm,10kHz,1Hz)为2.3×10¹¹cm.Hz^1/2/W,响应时间τ为0.21ms.     

第Ⅵ类两态叠加多模叠加态光场的等阶N次方Y压缩特性研究

本文构造了由多模相干态|{Z_j}〉q与多模虚相干态|{iZ_j}〉q这两者的线性叠加所组成的第Ⅵ类两态叠加多模叠加态光场|Ψ₆⁽²⁾〉q.利用多模压缩态理论,研究了态|Ψ₆⁽²⁾〉q的广义非线性等阶N次方Y压缩特性.结果发现:1)在压缩阶数N＝2p且p＝2l(l＝1,2,3,…,…)的条件下,无论各模的初始相位φ_j(j＝1,2,3,…,q)、态间的初始相位差(θ_pq^(R)-θ_pq^(I))以及各单相干态光场的平均光子数之和 R_j²等如何变化,态|ψ₆⁽²⁾〉q总是恒处于偶数阶等阶N-Y最小测不准态.2)在压缩阶数N＝2p且p＝2l+1(l＝0,1,2,3,…,…)的条件下,当各模的初始相位φj、态间的初始相位差(θ_pq^(R)-θ_pq^(I))以及各单模相干态光场的平均光子数之和 R_j²等分别满足一定的量子化条件(或者在特定的区间内连续取值)时,态|ψ₆⁽²⁾〉q的第一及第二这两个正交分量总可分别呈现出周期性变化的偶数阶的等阶N次方Y压缩效应.     

Ag(100)表面氧吸附的密度泛函理论和STM图像研究

用密度泛函理论研究了氧原子的吸附对于Ag(100)表面结构和电子态的影响.通过PAW总能计算研究了p(1×1)、c(2×2)和(2^1/2×22^1/2)R45°等几种原子氧覆盖度下的吸附结构,以及在上述结构下Ag(100)表面的弛豫特性、吸附能量、功函数等一系列物理量.研究表明：在(2^1/2×22^1/2)R45°-2O吸附Ag(100)表面的情况下,每格两列就会缺失 关键词： Ag(100)表面氧吸附 缺列再构 STM图像     

Sulfur dioxide adsorption and reaction with atomic oxygen on the Ag(110) surface

The adsorption of SO₂ on Ag(110) and the reaction of SO₂ with oxygen adatoms have been studied under ultrahigh vacuum conditions using low energy electron diffraction, temperature programmed reaction spectroscopy and photoelectron spectroscopy. Below 300 K, SO₂ adsorbs molecularly giving p(1×2) and c(4×2) LEED patterns at coverages of one half and three quarter monolayers. respectively. At intermediate coverages, streaked diffraction patterns, similar to those reported for noble gas and alkali metal adsorption on the (110) face of face-centered cubic metals were observed, indicating adsorption out of registry with the surface. A feature at low binding energy in the ultraviolet photoemission spectrum appeared which was assigned to a weak chemisorption bond to the surface via the sulfur, analogous to bonding observed in SO₂-amine charge transfer complexes and in transition metal complexes. SO₂ exhibited three binding states on Ag(110) with binding energies of 41, 53 and 64 kJ mol^?1; no decomposition on clean Ag(110) was observed. On oxygen pretreated Ag(110), SO₂ reacted with oxygen adatoms to form SO_3(a), as determined by X-ray photoelectron spectroscopy. Reacting preadsorbed atomic oxygen in a p(2 × 1) structure with SO₂ resulted in a c(6 × 2) pattern for SO_3(a). The adsorbed SO_3(a) decomposed and disproportionated upon heating to 500 K to yield SO_2(g), SO_4(a) and subsurface oxygen.     

The adsorption of CO,O2, and H2 on Pt(100)-(5×20)

The adsorption/desorption characteristics of CO, O₂, and H₂ on the Pt(100)-(5 × 20) surface were examined using flash desorption spectroscopy. Subsequent to adsorption at 300 K, CO desorbed from the (5×20) surface in three peaks with binding energies of 28, 31.6 and 33 kcal gmol^?1. These states formed differently from those following adsorption on the Pt(100)-(1 × 1) surface, suggesting structural effects on adsorption. Oxygen could be readily adsorbed on the (5×20) surface at temperatures above 500 K and high O₂ fluxes up to coverages of $\text{2}\text{3}$ of a monolayer with a net sticking probability to ssaturation of ? 10^?3. Oxygen adsorption reconstructed the (5 × 20) surface, and several ordered LEED patterns were observed. Upon heating, oxygen desorbed from the surface in two peaks at 676 and 709 K; the lower temperature peak exhibited atrractive lateral interactions evidenced by autocatalytic desorption kinetics. Hydrogen was also found to reconstruct the (5 × 20) surface to the (1 × 1) structure, provided adsorption was performed at 200 K. For all three species, CO, O₂, and H₂, the surface returned to the (5 × 20) structure only after the adsorbates were completely desorbed from the surface.     

A LEED and AES study of the adsorption of bromine on W(100) at room temperature

Bromine gas adsorbs atomically on W(100) at room temperature to a saturation concentration of θ = 0.88 relative to the surface tungsten atom density (10¹⁹ m^?2). Below θ ～ 0.4, a c(2 × 2) overlayer is formed. Beyond this a ($\text{3}\text{4}$√2 × √2)R45° structure is preferred and this saturates at θ = 0.67. Higher surface bromine concentrations result in hexagonal variable compression structures on W(100). The sequence begins w structures on W(100). The sequence begins with a c(4 × 2) coincidence mesh which at higher coverages is compressed in one 〈0,1〉 substrate direction. At certain compressions the overlayer achieves p(5 × 2), c(6 × 2), p(7 × 2) coincident configurations and perhaps c(8 × 2) at saturation. This would correspond to θ = 0.875 and is the closest coincidence structure to a perfect hcp overlayer. Bromine prefers a rectangular overlayer geometry on W(100) and compression into an hexagonal array greatly reduces the overlayer stability. The nn repulsions incurred limit room temperature adsorption as the overlayer compresses to perfect hep. Halogen behaviour on W(100) is compared with that on Fe(100). Most differences can be explained in terms of geometrical and bond strength differences but chlorine on W(100) appears to be an exception to this rule.     

The adsorption of carbon monoxide on Cu(110)-Ni surfaces prepared by dissociation of nickel carbonyl

Cu(110)-Ni surface alloys were prepared by dissociation of nickel carbonyl on clean Cu(110). The adsorption of CO is reversible in the temperature region of 22–200°C and the pressure range of 5 × 10^?8-0.7 Torr, as monitored with ellipsometry and AES. The amount of adsorbed CO depends on the amount of preadsorbed oxygen but not on the amount of carbon present at the surface. The isosteric heat of adsorption decreases from 31 ± 3kcal/mole to 18 ± 2 kcal/mole with increasing CO coverage (up to θ = 0.14θ_max) but is constant for higher coverages (up to θ = 0.4θ _max).     

Interaction of cesium and oxygen on W(110): I. Cesium adsorption on oxygenated and oxidized W(110)

Cesium adsorption on oxygenated and oxidized W(110) is studied by Auger electron spectroscopy, LEED, thermal desorption and work function measurements. For oxygen coverages up to 1.5 × 10¹⁵ cm^?2 (oxygenated surface), preadsorbed oxygen lowers the cesiated work function minimum, the lowest (～1 eV) being obtained on a two-dimensional oxide structure with 1.4 × 10¹⁵ oxygen atoms per cm². Thermal desorption spectra of neutral cesium show that the oxygen adlayer increases the cesium desorption energy in the limit of small cesium coverages, by the same amount as it increases the substrate work function. Cesium adsorption destroys the p(2 × 1) and p(2 × 2) oxygen structures, but the 2D-oxide structure is left nearly unchanged. Beyond 1.5 × 10¹⁵ cm^?2 (oxidized surface), the work function minimum rises very rapidly with the oxygen coverage, as tungsten oxides begin to form. On bulk tungsten oxide layers, cesium appears to diffuse into the oxide, possibly forming a cesium tungsten bronze, characterized by a new desorption state. The thermal stability of the 2D-oxide structure on W(110) and the facetting of less dense tungsten planes suggest a way to achieve stable low work functions of interest in thermionic energy conversion applications.     

A new model for CO ordering at high coverages on low index metal surfaces: A correlation between LEED,HREELS and IRS: I. CO adsorbed on fcc (100) surfaces

In this paper, we reexamine the surface structures of CO on (100) surfaces of copper, palladium, nickel and platinum. We use the types of site determined by High Resolution Energy Electron Loss Spectroscopy (HREELS), or Infra Red Spectroscopy (IRS), to propose new models for the arrangement of CO molecules at coverages exceeding $\text{1}\text{2}$, i.e. at coverages higher than those corresponding to simple structures c(2 × 2) and $\text{p}\text{(2}\text{2}\text{×}\text{2}\text{)}\text{R}\text{45°}$. Laser simulations allow us to decide the validity of the proposed models. The consequences of these models are the existence of at most two adsorption sites at all coverages, and the existence of antiphase domains separated by walls to form the complex structures. The transition between two consecutive structures due to an increase of coverage is a unidirectional compression, generating more wall regions.     

La0.67Ca0.33MnO3(001)薄膜表面结构的扫描隧道显微术研究

利用Scanning Tunneling Microscope(STM)和Scanning Tunneling Spectroscopy(STS)技术研究了La_0.67Ca_0.33MnO₃(001)表面性质,研究发现表面呈现多相分离现象,在锰氧终端面观察到了绝缘性的( 2 × 2 )R45°重构表面和金属性的(1×1)重构表面,在镧钙氧终端面,观察到了表面呈现条纹状结构.La_0.67Ca_{0.33 关键词： 镧钙锰氧薄膜 终端面 绝缘金属转变}     

Au(110)表面结构和氧原子吸附的第一性原理研究

用密度泛函理论(DFT)研究了金属Au(110)表面结构以及氧原子的吸附状态.计算得到Au(110)-(1×2)缺列再构表面原子的弛豫分别是-15.0%(Δd₁₂/d₀)和-1.1%(Δd₂₃/d₀),表面能为52.7 meV/²,功函数Φ=5.00 eV;Au(110)-(1×3)缺列再构表面的Δd_{1 关键词： 缺列再构Au(110)表面 STM图像 氧原子吸附}     

Ellipsometric study of oxygen adsorption and the carbon monoxide-oxygen interaction on ordered and damaged Ag(111)

The adsorption of oxygen on Ag(111) has been studied by ellipsometry in conjunction with AES and LEED. The oxygen pressure varied between 10^?5 and 10^?3 Torr and the crystal temperature between room temperature and 250° C. Changes in the Auger spectrum and the LEED pattern upon oxygen adsorption are very small. Oxygen coverages were derived from the changes in the ellipsometric parameter Δ. At room temperature a maximum coverage is reached within a few minutes. Its value increases with the damage produced by the preceding argon ion bombardment. The sticking coefficient derived from the initial rate of Δ-change amounts to 3 × 10^?5 for well-annealed surfaces and 2.5 ? 5 × 10^?4 for damaged surfaces. After evacuation no desorption takes place. Other types of adsorption, associated with much larger changes in Δ, were observed upon bombardment with oxygen ions and with oxygen activated by a hot filament. The reaction of CO with adsorbed oxygen was studied ellipsometrically at room temperature in the CO pressure range 10^?7–10^?6 Torr. The initial reaction rate is proportional to the CO pressure. The reaction probability (number of oxygen atoms removed per incident CO molecule) is 0.36.