Exact ground states of two-dimensional ±J Ising spin glasses

In this paper we study the problem of finding an exact ground state of a two-dimensional ±J Ising spin glass on a square lattice with nearest neighbor interactions and periodic boundary conditions when there is a concentrationp of negative bonds, withp ranging between 0.1 and 0.9. With our exact algorithm we can determine ground states of grids of sizes up to 50×50 in a moderate amount of computation time (up to 1 hr each) for several values ofp. For the ground-state energy of an infinite spin-glass system withp=0.5 we estimateE _0.5 =–1.4015±0.0008. We report on extensive computational tests based on more than 22,000 experiments.     

Quenchedn-vectorp-spin model

A disorderedn-vector model withp spin interactions previously introduced is studied for the quenched case by means of the replica method and a generalized Parisi theory. We present formal solutions for generaln andp and then study the casep . The high-temperature solution is stable at all temperatures and there is only one phase transition at a temperatureT _g. Only longitudinal lowtemperature solutions are possible. There is one spin-glass solution, and it is stable for allT _g. The phase transition atT _g is of first order and displays a jump discontinuity in the order parametersq _j ^(L) andd. The spin-glass free energy is temperature dependent forn > 1 while it is constant whenn = 1.     

Perfect Transfer of Entangled States on Spin Chain

Current researches have shown that perfect states transfer over arbitrary distances is possible for a simple unmodulated spin chain by some schemes. The transfer of a single qubit state has been investigated in detail by Christandl et al. [Phys. Rev. Lett. 92, 187902(2004)] through a modified Heisenberg XX model Hamiltonian H _G . The previous study of Christandl is restricted to the first-excitation states of H _G (i.e., which correspond to the second subspace of the Hilbert space of H _G ). In this work, we extend their study to the case of the high-excitation states, and find that the entangled states in such a form, | ψ 〉 = α | 00⋯ 0〉 + β | 11⋯ 1〉, can be perfectly transfered on the spin chain. PACS numbers 03.67.Hk, 03.67.Pp, 05.50.+q.     

NiS2-xSex在x=1.00附近的反铁磁量子相变

针对NiS_2-xSe_x系统在x=1.0０附近发生的反铁磁量子相变,制备了一系列NiS_2-xSe_x(x=0.96, 0.98, 1.00, 1.05, 1.10和1.20)多晶样品,对其结构、磁性质和电阻率进行了系统的观测.结果发现：样品磁化率-温度关系呈现典型的强关联电子系统特征;与铜氧化物超导体相类似,它们的电阻率-温度关系在很宽的温 关键词： 量子相变 反铁磁自旋涨落 2-xSe_x体系')" href="#">NiS_2-xSe_x体系     

FeP(Im)−AB bonding energies evaluated with a large number of density functionals (P = porphine,Im = imidazole,AB = CO,NO, and O2)

Sixty-four density functionals, ranging from GGA, meta-GGA, hybrid GGA to hybrid meta-GGA, were tested to evaluate the FeP(Im)–AB bonding energies (E _bond) in the heme model complexes FeP(Im)(AB) (P?=?porphine, Im?=?imidazole, AB?=?CO, NO, and O₂). The results indicate that an accurate prediction of E _bond for the various ligands to heme is difficult with the DFT methods; usually, a functional successful for one system does not perform equally well for other system(s). Relatively satisfactory results for the various FeP(Im)–AB bonding energies are obtained with the meta-GGA functionals BLAP3 and Bmτ1; they yield E _bond values of ca. 1.1, 1.2, and 0.4?eV for AB?=?CO, NO, and O₂, respectively, which are in reasonable agreement with experimental data (0.78–0.85?eV for CO, 0.99?eV for NO, and 0.44???0.53?eV for O₂). The other functionals show more or less deficiency for one or two of the systems. The performances of the various functionals in describing the spin-state energetics of the five-coordinate FeP(Im) complex were also examined.     

Elastic shape memory effect in In-Pb alloys in the temperature range 0.48–180 K

Pseudoelasticity caused by pseudotwinning in short-range ordered In-Pb alloys (6, 8 and 11.6 at. % Pb) is studied in the temperature range 0.48–180 K. The mechanical hysteresis parameters, namely, the thermodynamic stress τ _T which provides the reversibility of plastic deformation and the frictional stress τ _f which characterizes the resistance offered by crystal lattice and its defects to twin boundaries motion are estimated. It is found that athermal processes determine the reversible deformation: the mechanical parameters τ _T and τ _f do not depend on temperature and strain rate. The stress τ _T increases and the stress τ _f decreases with increasing Pb content. One of the main conditions of the exhibition of superelasticity is the fulfillment of the inequality τ _T >τ _f .     

Co(S1-xSex)2系统中的铁磁量子相变

针对Co(S_1-xSe_x)₂系统在x=0.11附近发生的铁磁金属到顺磁金属相变,制备了一系列不同Se替代浓度的多晶样品.通过对其结构和电阻率-温度ρ(T)关系的系统观测,结果发现,样品铁磁相变温度T_C随着Se替代浓度x值的增加,以(1-x)^1/2关系单调下降,其二级铁磁相变转变为一级相变 关键词： 量子相变 自旋量子涨落 1-xSe_x)₂')" href="#">Co(S_1-xSe_x)₂     

On the equivalence of boundary conditions

We show that ifb andb are two boundary conditions (b.c.) for general spin systems on ^d such that the difference in the energies of a spin configuration in ^d is uniformly bounded, |H _,b ()–H _,b()|C < , then any infinite-volume Gibbs states and obtained with these b.c. have the same measure-zero sets. This implies that the decompositions of and into extremal Gibbs states are equivalent (mutually absolutely continuous). In particular, if is extremal,=. Application of this observation yields in an easy way (among other things) (a) the uniqueness of the Gibbs states for one-dimensional systems with forces that are not too long-range; (b) the fact that various b.c. that are natural candidates for producing non-translation-invariant Gibbs states cannot lead to such an extremal Gibbs state in two dimensions.Supported in part by NSF Grant PHY 78–15920 and by the Swiss National Foundation For Scientific Research.     

Signature dependence of 1/2+ bands in rare-earth nuclei: Rotation-alignment of g7/2 protons

The origin of the signature splitting of theK=1/2⁺ bands in odd Z rare-earth nuclei Ho, Tm and Lu, unexplained in previous models, is studied by angular momentum projection from deformed Hartree-Fock configurations. Energy spectra,E2 matrix elements and the rotation-aligned angular momenta of nucleons in i_{1 3/2}, h_{1 1/2} and g_7/2 orbits are calculated. Staggering in the rotation-alignment of protons in the g_7/2 orbit causes signature dependent effects in the 1/2⁺ bands.     

Forthcoming papers

Kβ X-ray spectra of Si and SiO₂ have been measured accurately with a double crystal spectrometer. The measuredKβ spectrum of silicon element was compared with calculations of the electronic density of states. Observed intensity distribution shows that thep-electrons predominate at the top of the valence band, and somep-like states extend to the middle of the valence band. According to MO calculations the most intensiveKβ line of SiO₂ is 4t ₂ (100), the 3t ₂ (16) line is 17.9 eV lower, and 5t ₂ (5) line 6.3 eV higher. In our measurements the energy differences are 13.0 and 4 eV, respectively, and intensities 30% and 3% from the main line.     

Teleportation and thermal entanglement in two-qubit Heisenberg X Y Z spin chain with the Dzyaloshinski-Moriya interaction and the inhomogeneous magnetic field

This paper studies the average fidelity of teleportation and thermal entanglement for a two-qubit Heisenberg X Y Z chain in the presence of both an inhomogeneous magnetic field and a Dzyaloshinski-Moriya interaction. It shows that for a fixed Dz, the increase of bz will broaden the critical temperature at the cost of decreasing the thermal entanglement. And it can modulate the inhomogeneous magnetic field and the Dzyaloshinski-Moriya interaction for the average fidelity of teleportation to be optimal.     

第一性原理计算ZrnFe(n=2—13)团簇的基态结构及其磁性

从第一性原理出发，利用密度泛函理论中的广义梯度近似对Zr_nFe(n=2—13)团簇进行了结构优化、能量和频率计算.在充分考虑自旋多重度的前提下，对每一具体尺寸的团簇，得到了多个平衡构型，并根据能量高低确定了团簇的基态结构.综合团簇的结合能、二阶能量差分以及团簇的最高占据轨道和最低未占据轨道间的能隙可知Zr₅Fe，Zr₇Fe和Zr₁₂Fe团簇的稳定性相对较高，Zr₁₂Fe团簇的结构是具有I_h对称性的正二十面体，而且Zr₁₂Fe的稳定性在所有团簇中是最高的.另外，不仅Zr₅Fe，Zr₇Fe和Zr₁₂Fe团簇的稳定性相对较高，而且它们均为磁性团簇(而Zr_n团簇的磁矩在n≥5时已经发生了淬灭)，由此可知通过选择合适的掺杂元素可能得到高稳定的磁性团簇.从Mulliken布居分析结果可知，除了在Zr₁₂Fe团簇中Fe原子失去少量电荷外，其他团簇中Fe原子均从Zr原子那里得到了一定量电荷，即Fe原子在Zr_nFe(n=2—13，n≠12)团簇中是电子受体.     

A new integral equation for treating high-intensity multiphoton processes

Summary In the present paper we derive a new integral equation for the non-perturbative evaluation of transition matrix elements for high-intensity multiphoton processes. Our method will be partly based on the Kramers-Henneberger transformation. In the course of the development of our theory we shall relate our approach to previous investigations along similar lines. As a specific example we shall apply our integral equation to the problem of light scattering and present a multiphoton generalization of the Kramers-Heisenberg dispersion formula. We shall then apply this general formula to the study of higher-harmonic generation from a short-range potential with a single bound state, and evaluate the ratesR _n of then-th-order harmonic for a set of specifically chosen parameters. This work has been supported by the East-West Program of the Austrian Academy of Sciences under Project Nr. 45.174/1-46a/93 of the ?sterreichische Bundesministerium für Wissenschaft und Forschung.     

T1–T2 Correlation Spectra Obtained Using a Fast Two-Dimensional Laplace Inversion

Spin relaxation is a sensitive probe of molecular structure and dynamics. Correlation of relaxation time constants, such as T₁ and T₂, conceptually similar to the conventional multidimensional spectroscopy, have been difficult to determine primarily due to the absense of an efficient multidimensional Laplace inversion program. We demonstrate the use of a novel computer algorithm for fast two-dimensional inverse Laplace transformation to obtain T₁–T₂ correlation functions. The algorithm efficiently performs a least-squares fit on two-dimensional data with a nonnegativity constraint. We use a regularization method to find a balance between the residual fitting errors and the known noise amplitude, thus producing a result that is found to be stable in the presence of noise. This algorithm can be extended to include functional forms other than exponential kernels. We demonstrate the performance of the algorithm at different signal-to-noise ratios and with different T₁–T₂ spectral characteristics using several brine-saturated rock samples.     

Study of the spectrum of CH335C1 between 4250 and 4600 CM?1: thev2+v4 andv4+v5 rovibrational bands

About 2500 lines of CH₃ ³⁵Cl have been assigned. The strong xy Coriolis resonance between thev ₂ andv ₅ modes is quite visible between thev ₄+v ₄ ^±1 perpendicular band, centered around 4383 cm^–1, and thev ₄ ^±1 +v ₅ ^±1 perpendicular component, centered around 4475 cm^–1, with a crossing of upper energy levels allowing the observation of lines which are normally forbidden. Although not yet observed with certainty, because of the great density of lines of the spectrum, thev ₄ ¹ +v ₅ ^±1 parallel component is nevertheless detectable by its effects onv ₂+v ₄ ^±1 which is linked by Coriolis resonance to both components ofv ₄+v ₅. Moreover the spectrum is much complicated by many other resonances with weak bands which occur at level crossings: it is the case ofv ₂+3v ₆ ^±1 , connected tov ₂+v ₄ ^±1 by the well known Darling Dennison resonance which couplesv ₄ ^±1 and 3v ₆ ^±1 , and also ofv ₅ ^±1 +3v ₆ ^±1 connected tov ₄ ^±1 +v ₅ ^±1 by the same resonance; but this last case is complicated by an anharmonic resonance betweenv ₅ ^±1 +3v ₆ ^±1 and 2v ₃+3v ₆ ¹ . Two more perturbations occur on the K=–1 side ofv ₂+v ₄: a weak Coriolis resonance gives rise to one subband ofv ₁+v ₂ at a level crossing withv ₂+v ₄, and thev ₁+v ₅ band (linked of course tov ₁+v ₂ by the Coriolis resonance between thev ₂ andv ₅ modes) is quite visible and perturbs several subbands ofv ₂+v ₄ of high values of K through an anharmonic resonance. Moreover, the complex (3v ₅ ^±1 ,v+2v ₅ ⁰ , 2v ₂+v ₅ ^±1 , 3v ₂,v ₂+2v ₅ ^±2 , 3v ₅ ^±3 ) system of Coriolis-connected bands is linked to the bands studied in the present work by two Fermi resonances: one betweenv ₂+2v ₅ ⁰ andv ₁+v ₂, and the other one betweenv ₁+v ₅ and 3v ₅ ^±1 , whose several subbands have been observed on the low part of the spectrum. The values of all the band centres and of the different coupling constants have been estimated, but all these interactions make the line assignments and the interpretation of the spectrum very difficult.     

A bound on the number of bound states in the Schrödinger equation

A boundS _l is given for the number of bound statesn _i in thelth partial wave corresponding to a spherically symmetric potential in non-relativistic quantum mechanics. This bound is given by whereV _a(l, r) is the attractive part of the effective potentialV(r)+l(l+1)/r ². Extensive comparative study ofS _i and the Bargmann inequality is made.     

Structure of high spin states of76Kr and78Kr nuclei

Following a fully self-consistent cranked Hartree-Fock-Bogoliubov (CHFB) approach with a pairing+quadrupole+hexadecapole model interaction Hamiltonian the structure of the yrast states of^76,78Kr nuclei is studied up to angular momentumJ = 24. Evolution of the shape with spin, and rotation alignment of proton as well as neutron 0g_9/2 orbitals is investigated along with the inter and intra-nucleus variations of theg factors as a function ofJ. We find that the shape of⁷⁸Kr remains prolate all through up toJ = 24, whereas⁷⁶Kr becomes triaxial beyondJ = 12