Structure and microstructure of epitaxial Sr n Fe n O3 n −1 films

Thin films of SrFeO_{3??? x} (0?≤?x?≤?0.5) (SFO) grown on a (LaAlO₃)_0.3 (SrAl_0.5Ta_0.5O₃)_0.7 (LSAT) substrate by pulsed laser deposition have been structurally investigated by electron diffraction and high resolution transmission electron microscopy for different post-deposition oxygen treatments. During the deposition and post-growth oxidation, the oxygen-reduced SFO films accept extra oxygen along the tetrahedral layers to minimize the elastic strain energy. The oxidation process stops at a concentration SFO_2.875 and/or SFO_2.75 because a zero misfit with the LSAT substrate is reached. A possible growth mechanism and phase transition mechanism are suggested. The non-oxidized films exhibit twin boundaries having a local perovskite-type structure with a nominal composition close to SFO₃.     

Bound States in n Dimensions (Especially n = 1 and n = 2)

 We stress that in contradiction with what happens in space dimensions n ≥ 3, there is no strict bound on the number of bound states with the same structure as the semi-classical estimate for a large coupling constant. We give, in two dimensions, examples of weak potentials with one or infinitely many bound states. We derive bounds for one and two dimensions which have the “right” coupling-constant behaviour for large coupling. Received November 22, 2001; accepted for publication November 28, 2001     

Local state probabilities for solvable restricted solid-on-solid models:A n,D n,D n (1) , andA n (1)

The local state probabilities (LSPs) are exactly computed for four hierarchies of solvable lattice models. They are restricted solid-on-solid (RSOS) models whose local states and their adjacent conditions are specified by Dinkin diagrams of typesA _n,D _n,D _n ⁽¹⁾ andA _n ⁽¹⁾ . The LSPs are expressed in terms of modular functions characterized by branching identities among the theta functions. Their automorphic properties are used to study the critical behaviors. Some fine structures are found in the spectrum of the critical exponents.     

Neutral currents and n1B+n2L conservation

We look for possible forms of deviations from the SU(2)_L×U(1) of neutral current parameters when there exists one globally conserved quantum number (n₁B+n₂L) in a grand unified model, and obtain several relations between these parameters. It is shown that precision experiments on these parameters will hint at a globally conserved number even before an accurate measurement of the proton decay.     

SO q (n+1,n−1) as a real form of SO q (2n,ℂ)

Quantum pseudo-orthogonal groups SO _q (n+1,n–1) are defined as real forms of quantum orthogonal groups SO _q (n+1,n–1) by means of a suitable antilinear involution. In particular, the casen=2 gives a quantized Lorentz group.     

On the 1/n expansion

The 1/n expansion is considered for then-component non-linear -model (classical Heisenberg model) on a lattice of arbitrary dimensions. We show that the expansion for correlation functions and free energy is asymptotic, for all temperatures above the spherical model critical temperature. Furthermore, the existence of a mass gap is established for these temperatures andn sufficiently large.Supported in part by the National Science Foundation under Grant PHY 79-16812     

TheA n /(1) face models

Presented here is the construction of solvable two-dimensional lattice models associated with the affine Lie algebraA _n ^/(1) and an arbitrary pair of Young diagrams. The models comprise two kinds of fluctuation variables; one lives on the sites and takes on dominant integral weights of a fixed level, the other lives on edges and assumes the weights of the representations ofsl(n+1, C) specified by Young diagrams. The Boltzmann weights are elliptic solutions of the Yang-Baxter equation. Some conjectures on the one point functions are put forth.     

Interface control of emergent ferroic order in Ruddlesden-Popper Sr(n+1)Ti(n)O(3n+1)

We discovered from first principles an unusual polar state in the low n Sr(n+1)Ti(n)O(3n+1) Ruddlesden-Popper (RP) layered perovskites in which ferroelectricity is nearly degenerate with antiferroelectricity, a relatively rare form of ferroic order. We show that epitaxial strain plays a key role in tuning the "perpendicular coherence length" of the ferroelectric mode, and does not induce ferroelectricity in these low-dimensional RP materials as is well known to occur in SrTiO(3). These systems present an opportunity to manipulate the coherence length of a ferroic distortion in a controlled way, without disorder or a free surface.     

Crystal chemistry of the Tl2−xBa2Ca n Cu n+1O2n+6 (n=0, 1, 2) high-T c superconductors

We report on a comparative crystal chemical study of the Tl_2–xBa₂Ca _n Cu _n+1O_2n+6(n=0, 1, 2) high-T _c superconductors. Superconducting properties were determined by DC-conductivity and-susceptibility measurements. An X-ray diffraction analysis reveals the nonstoichiometry of the compounds as a link between structural and superconducting behavior. A comparison of the different structures gives evidence that T1 deficiency in the TlO double layers increases with increasingn; this deficiency causes apparent Cu valences larger than 2+in the superconducting phases thus maintaining the charge balance. By extracting appropriate chemical formulas and performing a bond strength calculation we obtained the mixed-valent oxidation state of copper for the superconducting tetragonal phases as being 2.17+(n=0), 2.25+(n=1) and 2.31+(n=2) respectively; for the non-superconducting orthorhombic phase Tl_2–xBa₂CuO_6–y a Cu valence of about 2+is suggested.     

Stark broadening of isolated lines: calculation of the diagonal multiplet factor for complex configurations (n1l1 n n2l2 m n3l3 p)

Owing to the increasing sensitivity of detectors, accurate line profiles are needed for accurate stellar atmospheres modelling and for laboratory and technological plasmas as well. So, Stark broadening parameters of isolated lines of complex atoms and ions within the impact and quasistatic approximation are needed, even if the atomic abundance of the considered element is low. Angular factors of the diagonal line strength entering the quadrupole term appearing in the semi-classical expression of the width of line broadened by electron or ion perturbers, are needed. The aim of this paper is to extend the previous calculations of this diagonal multiplet factor which were obtained for configurations of the type lⁿ and l₁ ⁿl₂ ^m to more complex configurations in LS coupling. To study the Stark broadening of isolated lines in the impact and quasistatic approximation, we use the semi-classical-perturbation treatment, including both dipole and quadrupole contribution in the expansion of the electrostatic interaction between the optical electron and the perturber. We also use the Fano-Racah algebra. Angular factors of the diagonal line strength entering the quadrupole term appearing in the semi-classical expression of the width of line broadened by electron or ion perturbers, are calculated. New diagonal multiplet factor formulae for more complicated configurations such as (n₁l₁ ⁿ(L_nS_n)n₂l₂ ^m(L_mS_m)n₃l₃ ^p(L_pS_p)) are provided. These formulae can enter the computer Stark semi-classical perturbation codes.     

Pressure-tuned collapse of the Mott-like state in Ca(n+1)Ru(n)O(3n+1) (n=1,2): Raman spectroscopic studies

We report a Raman scattering study of the pressure-induced collapse of the Mott-like phases of Ca3Ru2O7 (T(N)=56 K) and Ca2RuO4 (T(N)=110 K). The pressure dependence of the phonon and two-magnon excitations in these materials indicate (i) a T approximately 0 pressure-induced collapse of the antiferromagnetic (AF) insulating phase above P(*) approximately 55 kbar in Ca3Ru2O7 and P(*) approximately 5-10 kbar in Ca2RuO4, (ii) a remarkable insensitivity of the exchange interaction to pressure in both systems, and (iii) evidence for persistent AF correlations above the critical pressure of Ca2RuO4, suggestive of phase separation involving AF insulator and ferromagnetic metal phases.     

(HgSe)_n(n=1～6)团簇结构和性质的密度泛函研究

本工作采用LANL2DZ赝势基组、B3LYP方法对(HgSe)n(n=1~6)团簇进行了结构优化、自然键原子轨道和频率计算,得到(HgSe)n(n=1~6)团簇基态的平衡几何结构、电子状态、垂直电离势、垂直电子亲和势、偶极矩、三个基本热力学函数等相关性质,并系统分析了该团簇的几何构型、原子净电荷布局、前沿分子轨道特征.结果表明:基态稳定结构(HgSe)2为平面四边形,(HgSe)n(n=3~6)为笼状结构,且稳定顺序为(HgSe)5(HgSe)4(HgSe)6(HgSe)2HgSe(HgSe)3,极性顺序为:(HgSe)4HgSe(HgSe)3(HgSe)5(HgSe)6(HgSe)2,(HgSe)6和(HgSe)2分子空间结构的对称性较好.(HgSe)n(n=1~6)团簇各体系都有较好的电子供体及受体等活性部位,随着n增大轨道离域现象明显,利于电子的转移,导电性增强.     

(HgSe)n(n=1~6)团簇结构和性质的密度泛函研究

本工作采用LANL2DZ赝势基组、B3LYP方法对(HgSe)n(n=1~6)团簇进行了结构优化、自然键原子轨道和频率计算,得到(HgSe)n(n=1~6)团簇基态的平衡几何结构、电子状态、垂直电离势、垂直电子亲和势、偶极矩、三个基本热力学函数等相关性质,并系统分析了该团簇的几何构型、原子的净电荷布局、前沿分子轨道特征。结果表明：基态稳定结构(HgSe)2为平面四边形,(HgSe)n(n=3~6)为笼状结构,且稳定顺序为(HgSe)5>(HgSe)4>(HgSe)6>(HgSe)2>HgSe>(HgSe)3,极性顺序为：(HgSe)4>HgSe>(HgSe)3>(HgSe)5>(HgSe)6>(HgSe)2,(HgSe)6、(HgSe)2分子空间结构的对称性较好。(HgSe)n(n=1~6)团簇各体系都有较好的电子供体及受体等活性部位,随着n增大轨道离域现象明显,利于电子的转移,导电性增强。     

An identity forR nembedded intoE n+1

An identity is obtained for a Riemanniann-space (R _n) locally and isometrically embedded into a pseudo-Euclidean (n+1)-space (E _n+1), relating the corresponding second fundamental form with the intrinsic geometry ofR _n. Forn=4 such an identity reduces to a previous result by Goenner.     

Effect of Sb substitution on the superconductivity of Bi2(Ca,Sr) n+1Cu n O4n+2 (n=1, 2 and 3) systems

Effect of incorporation of Sb in place of Bi in the bismuth cuprate superconductors has been examined. The nominal compositions studied are MCa_1·5Sr_1·5Cu₂O_8+δ and MCa₂Sr₂Cu₃O_10+δ, whereM=Bi_2−x Sb _x or Bi_1·5−x Sb _x Pb_0·5. Different preparative routes such as the ceramic method, the matrix route as well as the melt route were employed to prepare the materials. No indication of either Sb entering the lattice or enhancement ofT _c is noted from resistivity, magnetic susceptibility and microwave absorption measurements. Communication No. 162 from Materials Research Centre.     

空穴掺杂铱氧化物Srn+1IrnO3n+1 (n=1,2)的角分辨光电子能谱研究

近年来, 与铜氧化物高温超导体具有类似电子结构的5d 轨道 Ruddlesden-Popper 类型铱氧化物由于体系中库伦排斥和自旋轨道耦合之间的合作效应被人们广泛探究. 其中, 金属绝缘体转变的关键影响因素是该方向的核心研究问题, 该结果对推进掺杂莫特绝缘体体系的研究具有重要作用. 因为铱氧化物与铜氧化物在单能带哈伯德模型的次 近 邻 跃 迁 项 具 有 不 同 符 号, 因 此 空 穴 掺 杂 铱 氧 化 物 类 比 电 子 掺 杂 铜 氧 化 物. 我 们 将 空 穴 掺 杂Ruddlesden-Popper 类型铱氧 化 物 系 统 依 据 几 种 不 同 的 掺 杂 元 素 进 行 分 类, 分 别 介 绍 其 角 分 辨 光 电 子 能 谱(ARPES) 探测到的电子结构, 对其中金属绝缘体转变类型进行了总结, 并对该领域中的未来研究方向做出了展望.