分子磁体中的量子隧穿及宏观量子效应

文章介绍了分子磁体中的量子隧穿和宏观量子效应理论和实验研究的新进展．分子磁体既有宏观磁体特性也呈现纯量子行为，例如磁化矢量的量子隧穿．文章作者解释了如何通过量子隧穿实现宏观量子相干(即薛定谔猫态的相干叠加)和量子态位相干涉．对隧穿率计算的瞬子方法，特别是有限温度隧穿理论及其在分子磁体量子隧穿中的应用也做了简要的阐述．     

声波在一维声子晶体中共振隧穿的研究

通过从实验和理论方面对声波在一维声子晶体单晶体和被小的共振腔分开的双晶体中传播时发生的隧穿和共振隧穿现象的研究，观察到了声子晶体单晶体在带隙频率范围内发生的隧穿现象，而对于双晶体样品，在带隙频率范围内出现了很强的共振透射峰.共振发生时，实验测得的群时间很大，但是没有共振时，群速度却很快. 关键词： 声波 声子晶体 隧穿 共振     

Hypothesis about electron quantum tunneling during sonochemical splitting of water molecule

Quantum tunneling in chemistry is often attributed to the processes at low or near room temperatures when the rate of thermal reactions becomes far less than the rate of quantum tunneling. However, in some rapid processes, quantum tunneling can be observed even at high temperatures. Herein, we report the experimental evidence for anomalous H/D kinetic isotope effect (KIE) during sonochemical dissociation of water molecule driven by 20 kHz power ultrasound measured in H₂O/D₂O mixtures saturated with Ar or Xe. Hydrogen released during ultrasonic treatment is enriched by light isotope. The observed H/D KIE (α = 2.15–1.50) is much larger than what is calculated assuming a classical KIE for T_g = 5000 K (α = 1.15) obtained from the sonoluminescence spectra in H₂O and D₂O. Furthermore, the α values sharply decrease with increasing of H₂O content in H₂O/D₂O mixtures reaching a steady-state value close to α = 1.50, which also cannot be explained by O-H/O-D zero-point energy difference. We suggest that these results can be understood in terms of quantum electron tunneling occurring in nonequilibrium picosecond plasma produced at the last stage of cavitation bubble collapse. Thermal homolytic splitting of water molecule is inhibited by extremely short lifetime of such plasma. On the contrary, immensely short traversal time for electron tunneling in water allows H₂O dissociation by quantum tunneling mechanism.     

Quantum tunneling of ultracold atoms in optical traps

We review our theoretical advances in quantum tunneling of BoseEinstein condensates in optical traps and in microcavities. By employing a real physical system, the frequencies of the pseudo Goldstone modes in different phases between two optical traps are studied respectivdy, which are tile crucial feature of the non-Abelian Joseptmon effect. When the optical lattices are under gravity, we investigate the quantum tummling in the ＂Wannier-Stark localization＂ regime and ＂Lan（lau Zener tunneling＂ regime. We finally get the total decay rate and the rate is valid over the entire range of temperatures. At high temperatures, we show how the decay rate reduces to the appropriate results for the classical thermal activation. At hltermediate temperatures, the results of tile total decay rate are consistent with the thermally assisted tunneling. At low temperatures, we obtain the pure quantmn tunneling ultimately. And we study the alternating-current and direct-current （ac and de） photonic 3osephson effects in two weakly linked microcavities containing ultracold two-level atones, which allows for direct observation of the effects. This enables new investigations of the effect of maw-body physics in strongly coupled atom-cavity systems and provides a strategy for constructing novel interference devices of coherent photons. In addition, we propose the experimental protocols to observe these quantmn tunneling of Bose- Einstein condensates.     

介观LC电路中的量子隧道效应

考虑到电子在纳米电容器中的运动是一个单电子隧穿过程,因而将电容器作为一个隧道结,应用隧道模型的稳态法,研究了介观LC电路中的电流电压特性.结果表明:由于库仑力的作用,介观LC电路中存在着阈值电压.当外加电压小于阈值电压时,隧穿电流为零,显示出库仑阻塞现象;当外加电压远大于阈值电压时,隧穿电流与电压成正比. 关键词： 介观LC电路 库仑阻塞 单电子隧道过程     

Temperature-dependent theory of tunneling in the fractional quantum Hall effect

Recent experiments have studied the tunneling current between two edges of the same fractional quantum Hall liquid as a function of temperature and voltage. The experimental findings for low temperatures are at odds with the model where the edges are described as chiral Luttinger liquids, while the data at high temperatures are quite consistent with the same model. Here, we argue that a temperature dependence of the tunneling amplitude, not foreseen in previous works, can explain this discrepancy.     

偏压在隧道效应中的作用

从隧道扫描势垒模型出发。用量子力学导出隧道电流与针尖间的偏压、间距及它们的逸出功之间的关系,并从能带模型的角度导出样品与针尖的间距不变时,隧道电流与偏压成正比关系．指出偏压的作用主要是提高针尖上电子的能量,使针尖上的电子比样品上的电子更容易穿过势垒,从而形成隧道电流．     

The asymmetry of the tunneling time in type II semiconductor heterostructures

The tunneling time asymmetry in type II semiconductor heterostructures is related to the phase difference of the reflection coefficients for the two tunneling directions. Analytical expressions and numerical simulations are given for the difference between the left-to-right and right-to-left tunneling times in asymmetric, single and multiple barrier type II heterostructures.     

Influence of interface within the composite barrier on the tunneling electroresistance of ferroelectric tunnel junctions with symmetric electrodes

The interface with a pinned dipole within the composite barrier in a ferroelectric tunnel junction（FTJ） with symmetric electrodes is investigated.Different from the detrimental effect of the interface between the electrode and barrier in previous studies,the existence of an interface between the dielectric SrTiO₃ slab and ferroelectric BaTiO₃ slab in FTJs will enhance the tunneling electroresistance（TER） effect.Specifically,the interface with a lower dielectric constant and larger polarization pointing to the ferroelectric slab favors the increase of TER ratio.Therefore,interface control of high performance FTJ can be achieved.     

A local view of the Kondo effect: Scanning tunneling spectroscopy

The fascinating many-body physics involved in the interaction of a single magnetic impurity with the conduction electrons of its nonmagnetic metallic host is reflected in unconventional phenomena in magnetism, transport properties and the specific heat. Characteristic low-energy excitations, termed the Kondo resonance, are generally believed to be responsible for this striking behaviour. However, in spite of an intense research for over more than 30 years, a direct spectroscopic observation of the Kondo resonance on individual magnetic adatoms withstood experimental efforts hitherto. The development of low-temperature scanning tunneling microscopes (STM) operating under ultrahigh vacuum (UHV) conditions has provided new opportunities for investigating locally the electronic structure at surfaces. At low temperatures, due to the reduced broadening of the Fermi level of the STM tip and the sample, rather high energy resolution (≤ 1 meV) in scanning tunneling spectroscopy (STS) is achievable. Moreover, the absence of diffusion together with the spatial resolution of the STM enables detailed studies of electronic states on and near single adsorbed atoms and other nanoscale structures. Recently, for the first time, two such STS/STM experiments spatially resolved the electronic properties of individual magnetic adatoms displaying the Kondo effect. In particular, the observed Fano lineshape of the Kondo resonance reveals unambiguously the details of the quantum mechanical interference between the localized orbital and the conduction electrons on an atomic length scale [1,2]. This achievement of the detection of individual magnetic atoms with atomic resolution opens new perspectives for probing magnetic nanostructures.     

The critical role of the barrier thickness in spin filter tunneling

Spin filter tunneling is considered in the low bias limit as functions of the temperature dependent barrier parameters. We demonstrate the generation of spin polarized tunneling currents in relation to the magnetic order parameter, and discuss how an interfacially suppressed order parameter leads to a temperature dependent tunneling current asymmetry. Analyzing the full parameter space reveals that the often overlooked barrier thickness plays a critical role in spin filter tunneling. With all else fixed, thicker barriers yield higher spin polarization, and allow a given polarization to be achieved at higher temperatures. This insight may open the door for new materials to serve as spin filter barriers.     

细胞色素P450 2E1催化下乙醛羟基化反应动力学同位素效应的理论研究

采用建立在Eyring绝对反应速率理论基础上的计算模型,对细胞色素P4502E1催化下乙醛羟基化反应动力学同位素效应进行了理论研究.计算表明,乙醛羟基化反应的动力学同位素效应大小约为5.0(Wigner量子校正后约为7.0左右),远比烷烃羟基化反应的动力学同位素效应要小的多.这个反应对温度比较敏感,所以反应存在明显的量子隧穿现象.文中还对动力学同位素效应给出了相应的过渡态构型方面的解释.     

Effect of electromagnetic environment effect on coherent and incoherent Cooper pair tunneling in superconducting C-SET

Cooper pair tunneling in voltage-biased superconducting C-SET structure is discussed with emphasis on the electromagnetic environment effect based on the self-consistent microscopic theory of Coulomb blockade in C-SET. It is shown that coherent Cooper pair tunneling survives only in the low impedance limit where charge fluctuation is large, while incoherent Cooper pair tunneling survives in both low- and high-impedance limits.     

A reaction kinetics model of water sonolysis in the presence of a spin-trap

The time development of the concentration of a spin-trapped OH radical was studied by electron spin resonance at various sound intensities and various 5,5-dimethyl-1-pyrroline N-oxide (DMPO) concentrations in water sonolysis. The lifetime of the spin-trapped OH radical was also studied, and factors governing sonolysis are discussed. We found that the production of spin-trapped OH radical increases with increasing ultrasound intensity. The lifetime of a spin-trapped OH radical decreases linearly with increase in sonication time. This result suggests that an unknown scavenger is produced by ultrasound. Based on the above results, we suggested a model of the reaction kinetics and estimated the production rate of OH radical from this model.     

Sensitivity of current to energy in scanning tunneling microscopy within the vacuum case

Sensitivity of the tunneling current to electron energy is calculated in the context of scanning tunneling microscopy for the vacuum case by using an appropriate parameter. In addition, a mathematical relationship between this parameter and the phase associated with the involved Schrödinger wavefunctions is obtained.     

4H-SiC pn结型二极管击穿特性中隧穿效应影响的模拟研究

基于4H-SiC材料特性，建立了4H-SiC pn结型二极管的击穿模型.该模型在碳化硅器件中引入 雪崩倍增效应和隧穿效应.利用该模型，分析了隧穿效应对器件击穿特性的影响；解释了不 同的温度和掺杂条件下，器件的击穿机理.该模型较好地反映了实际器件的击穿特性. 关键词： 4H-SiC 二极管 击穿特性 隧穿效应 碰撞离化 模型     

另类全反射及光学隧穿中的电磁波

讨论了在被称之为受阻全内反射的隧穿过程中发生在由光疏介质到光密介质界面上的一种全反射现象，指出隧穿过程中的隧穿能流密度是隧穿区域内的入射波和反射干涉的结果，进而给出了隧穿区域和透射区域光波的多次反射的表达式。     

U+CO体系的分子反应动力学研究

基于CUO分子(X3A″)的多体展式分析势能函数,用准经典的MonteCarlo轨迹法研究了U+CO(0,0)的分子反应动力学过程.结果表明:在碰撞能低时(<215kJ.mol-1),可以生成长寿命络合物CUO(X3A″),并且该络合反应是无阈能反应,这一结论与前文用多体项展式理论计算的CUO分子势能曲线结果一致.碰撞能大于4184kJ.mol-1后,逐渐出现置换产物UO和UC,随碰撞能进一步增大,分子将被完全碰散成U,C,O原子,而且反应U+CO(0,0)→UO+C,U+CO(0,0)→UC+O和U+CO(0,0)→U+O+C是有阈能反应基于CUO分子(X3A″)的多体展式分析势能函数,用准经典的MonteCarlo轨迹法研究了U+CO(0,0)的分子反应动力学过程.结果表明:在碰撞能低时(<215kJ.mol-1),可以生成长寿命络合物CUO(X3A″),并且该络合反应是无阈能反应,这一结论与前文用多体项展式理论计算的CUO分子势能曲线结果一致.碰撞能大于4184kJ.mol-1后,逐渐出现置换产物UO和UC,随碰撞能进一步增大,分子将被完全碰散成U,C,O原子,而且反应U+CO(0,0)→UO+C,U+CO(0,0)→UC+O和U+CO(0,0)→U+O+C是有阈能反应 关键词： 玻色-爱因斯坦凝聚体 V型三能级原子 双模压缩态光场 光场正交压缩     

Exact calculation of the current in a one-dimension model of a scanning tunneling microscope

Electric current as a function of applied voltage have been calculated between two one-dimensional semi-infinite atomic chains. A tight-binding two band model and the modified tight-binding equations technique have been used. The current derivatives are compared with the surface local density of states. The comparison shows that the current derivatives reproduce the local density of states with a significant distortion. It occurs due to wave vector dependence of the transmission coefficient of electronic waves falling on the interface between the chains.     

Scanning tunneling microscopy and molecular orbital calculation of pentacene molecules adsorbed on the Si(100)2×1 surface

Adsorption of the organic molecule pentacene on Si(100)2×1 surfaces was imaged using scanning tunneling microscopy (STM). The molecular images exhibit distinct shapes corresponding to the expected shapes for adsorption configurations. Semi-empirical molecular orbital (MO) calculations reveal a local surface density of states for the adsorbed pentacene on the Si surface. In the cases where the pentacene molecule is adsorbed on an Si dimer row, the calculated MOs are in good agreement with the molecular images observed in STM. In the case of pentacene adsorbed on two or three Si-dimer rows, however, the MOs of the pentacene do not correlate directly with the observed STM images. It is thus considered that the STM images are produced by a combination of Si dimer states and MO.