Experimental evidence of the existence of a nonstationary coherent crystal state in bismuth

The excitation of a bismuth (Bi) crystal by intense ultrashort laser pulses at liquid-helium temperature leads to consistent motion of atoms and variations in the electron density. At various time instants over an interval reaching several dosen picoseconds, atoms in the Bi lattice exhibit sequential pairing in the real and reciprocal spaces. This behavior may correspond to the formation of a coherent crystal—a special state of matter that combines the properties of a solid and quantum fluid. Experimental data showing evidence of the possible existence of this unusual state are presented and analyzed.     

Charge ordering due to magnetic symmetry breaking

It is argued that both transitions observed in 50% doped manganites, at the Néel temperature (T(N)) and the so-called charge ordering temperature (T(CO)), are magnetic. T(N) corresponds to the order-disorder transition, which takes place between ferromagnetic zigzag chains, while the coherent motion of spins within the chains is destroyed only around T(CO). The magnetic structure below T(CO) is highly anisotropic. It is dressed by the lattice distortion and leads to the huge anisotropy of the electronic structure, which explains stability of this state as well as the form of the charge-orbital pattern above T(N). The type of phase transition at T=T(N) is determined by lattice interactions.     

Suppression of capillary wave broadening of interfaces in binary alloys due to elastic interactions

By Monte Carlo simulations in the constant-temperature--constant-pressure ensemble a planar interface between unmixed A-rich and B-rich phases of a binary (A, B) alloy on a compressible diamond lattice is studied. No significant capillary wave broadening of the concentration profile across the interface is observed, unlike lattice models of incompressible mixtures and fluids. The distortion of the lattice structure across the interface is studied.     

Evolution of Ge and SiGe Quantum Dots under Excimer Laser Annealing

We present different relaxation mechanisms of Ge and SiGe quantum dots under excimer laser annealing. Investigation of the coarsening and relaxation of the dots shows that the strain in Ge dots on Ge films is relaxed by dislocation since there is no interface between the Ge dots and the Ge layer, while the SiGe dots on Si0.77Ge0.23 film relax by lattice distortion to coherent dots, which results from the obvious interface between the SiGe dots and the Si0.77Ge0.23 film. The results are suggested and sustained by Vanderbilt and Wickham＇s theory, and also demonstrate that no bulk diffusion occurs during the excimer laser annealing.     

Kinetic boundary condition at a vapor-liquid interface

By molecular dynamics simulations, the boundary condition for the Boltzmann equation at a vapor-liquid interface is found to be the product of three one-dimensional Maxwellian distributions for the three velocity components of vapor molecules and a factor including a well-defined condensation coefficient. The Maxwellian distribution for the velocity component normal to the interface is characterized by the liquid temperature, as in a conventional model boundary condition, while those for the tangential components are prescribed by a different temperature, which is a linear function of energy flux across the interface. The condensation coefficient is found to be constant and equal to the evaporation coefficient determined by the liquid temperature only.     

Mechanism of THz emission from asymmetric double quantum wells

Impulsive interband optical excitation of the lowest two conduction subbands of a suitably engineered GaAs/AlGaAs double quantum well can lead to coherent THz emission. We demonstrate that, contrary to previous expectations, the dominant emission mechanism can involve the beating of either continuum or exciton states, depending on excitation conditions. The coherence of the continuum beats persists for several picoseconds even for excitation an optical phonon energy above the band edge. We attribute this to the small energy difference between the component eigenstates, which substantially reduces the number of relevant scattering events.     

Single-Ion Kondo scaling of the coherent Fermi liquid regime in Ce(1-x)La(x)Ni2Ge2

Thermodynamic and transport properties of the La-diluted Kondo lattice CeNi(2)Ge(2) were studied in a wide temperature range. The Ce-rich alloys Ce(1-x)La(x)Ni(2)Ge(2) were found to exhibit distinct features of the coherent heavy Fermi liquid. At intermediate compositions (0.7≤x≤0.9), non-Fermi liquid properties have been observed, followed by the local Fermi liquid behavior in the dilute limit. The 4f-electron contribution to the specific heat was found to follow the predictions of the Kondo-impurity model in both the local as well as the coherent regimes, with the characteristic Kondo temperature decreasing rapidly from about 30 K for the parent compound CeNi(2)Ge(2) to about 1 K in the most dilute samples. The specific heat does not show any evidence for the emergence of a new characteristic energy scale related to the formation of the coherent Kondo lattice.     

Radiative phonon transport in silicon and collisional energy transfer in aluminum films due to laser short-pulse heating: Influence of laser pulse intensity on temperature distribution

Energy transfer across aluminum and silicon films through phonon transport is examined in line with the laser short-pulse interaction with the aluminum film. The modified two-equation model is incorporated to compute electron and lattice site temperatures in the aluminum film while phonon radiative transport is used to predict equilibrium temperature in the silicon film. The thermal boundary resistance is considered at the interface of the films in the analysis. The numerical scheme using the finite difference method is adopted to solve the governing equations of energy. It is found that lattice site temperature rise is gradual in the aluminum film in the late heating period. However, equilibrium temperature decay is sharp in the region of silicon interface during this period. The thermal boundary resistance lowers lattice site temperature considerably in the region of the aluminum interface.     

汽液界面动力学行为与热力学性质的分子动力学研究

本文采用分子动力学方法研究了热平衡条件下的汽液界面的动力学行为和热力学性质。统计获得了界面区的密度、压力张量及温度的分布,并且从分子层次观察分析了界面结构和动力学特性。研究表明汽液界面是一个随时间起伏涨落的曲面,界面层的分子并不是处于液相和蒸汽相之间的一种过渡状态,从汽相到液相密度的连续变化是长时间的统计结果,汽渡过渡区的厚度与汽液界面区的密度涨落的范围是一致的。对于平衡条件下的汽液界面,由于汽液相变的影响,在紧贴界面处存在一个分子平均动能非平衡分布的区域。此非平衡区域的存在与汽液两相的宏观热平衡并不矛盾,但可能对蒸发／凝结流率的估计有不可忽略的影响。     

Modelling of mass-transfer induced instabilities at liquid–liquid interfaces based on molecular simulations

Interfaces and especially mass transfer across interfaces are of great importance in many fields of chemical engineering. Interfacial convection, which is generally called the Marangoni effect, may improve mass transfer across interfaces quite drastically and has not been investigated adequately in detail. In order to investigate the influence of mass transfer on a liquid–liquid interface molecular computer simulations have been performed. Since many molecules have to be considered for a significant modelling of the interface, cubic lattice systems have been chosen for the simulation which proceeds according to the Monte-Carlo scheme. The parameters that describe the thermodynamic and transport properties resemble those of realistic standard EFCE test systems for extraction. Results of various Monte-Carlo simulations show that under certain conditions mass transfer across interfaces induces the formation of nano droplets in the close vicinity of the interface. The different combinations of the nano droplet behaviour due to attractive or repulsive long-range forces together with the characteristics of coalescence may lead to different macroscopic interfacial instabilities such as spontaneous emulsification or eruptions. Based on diffusive and thermodynamic properties of the chosen lattice system a first stability criterion which allows the prediction of the onset of nano droplet formation is developed. The theoretical results compare well with experimental observations at a single drop and in a two-phase cell where the instabilities are investigated optically via Schlieren optics.     

Minor alloying behavior in bulk metallic glasses and high-entropy alloys

The effect of minor alloying on several bulk metallic glasses and high-entropy alloys was studied. It was found that minor Nb addition can optimize the interface structure between the W fiber and the Zr-based bulk metallic glass in the composites, and improve the mechanical properties. Minor Y addition can destabilize the crystalline phases by inducing lattice distortion as a result to improve the glass-forming ability, and the lattice distortion energy is closely related to the efficiency of space filling of the competing crystalline phases. A long-period ordered structure can precipitate in the Mg-based bulk metallic glass by yttrium alloying. For the high-entropy alloys, solid solution can be formed by alloying, and its mechanical properties can be comparable to most of the bulk metallic glasses.     

Stress relaxation in a perfect nanocrystal by coherent ejection of lattice layers

We show that a small crystal trapped within a potential well and in contact with its own fluid responds to large compressive stresses by a novel mechanism--the transfer of complete lattice layers across the solid-fluid interface. Further, when the solid is impacted by a momentum impulse set up in the fluid, a coherently ejected lattice layer carries away a definite quantity of energy and momentum, resulting in a sharp peak in the calculated phonon absorption spectrum. Apart from its relevance to studies of stability and failure of small sized solids, such coherent nanospallation may be used to make atomic wires or monolayer films.     

Ultrafast strain engineering in complex oxide heterostructures

We report on ultrafast optical experiments in which femtosecond midinfrared radiation is used to excite the lattice of complex oxide heterostructures. By tuning the excitation energy to a vibrational mode of the substrate, a long-lived five-order-of-magnitude increase of the electrical conductivity of NdNiO(3) epitaxial thin films is observed as a structural distortion propagates across the interface. Vibrational excitation, extended here to a wide class of heterostructures and interfaces, may be conducive to new strategies for electronic phase control at THz repetition rates.     

界面结构对Cu/Ni多层膜纳米压痕特性影响的分子动力学模拟

金属多层膜调制周期下降到纳米级时,其力学性质会发生显著改变. Cu-Ni晶格失配度约为2.7%,可以形成共格界面和半共格界面,实验中实现沿[111]方向生长的调制周期为几纳米且具有异孪晶界面结构的Cu/Ni多层膜,其力学性质发生显著改变.本文采用分子动力学方法对共格界面、共格孪晶界面、半共格界面、半共格孪晶界面等四种不同界面结构的Cu/Ni多层膜进行纳米压痕模拟,研究压痕过程中不同界面结构类型的形变演化规律以及位错与界面的相互作用,获取Cu/Ni多层膜不同界面结构对其力学性能的影响特征.计算结果表明,不同界面结构的样品在不同压痕深度时表现出的强化或软化作用机理不同,软化机制主要是由于形成了平行于界面的分位错以及孪晶界面的迁移,强化机制主要是由于界面对位错的限定作用以及失配位错网状结构与孪晶界面迁移时所形成的弓形位错之间的相互作用.     

Surface scattering in media with time and spatial dispersion

Scattering of scalar and vector waves from a randomly rough interface between media, in which several types of waves (modes) exist due to the time and spatial dispersion, has been studied in the Kirchhoff approximation. As a wave of a certain type is reflected from the interface, it transforms into other modes not only in the diffusive fields but in the coherent components as well. We have calculated the mean (coherent) field and the angular diagram of the diffusively scattered intensity. It is shown that the coherent components of the waves generated on reflection (cross-modes) propagate in directions that are different from the specular one. The dispersion gives rise to the frequency dependence of the scattering diagram even in the geometric-optics approximation.     

Surface scattering in media with time and spatial dispersion

Scattering of scalar and vector waves from a randomly rough interface between media, in which several types of waves (modes) exist due to the time and spatial dispersion, has been studied in the Kirchhoff approximation. As a wave of a certain type is reflected from the interface, it transforms into other modes not only in the diffusive fields but in the coherent components as well. We have calculated the mean (coherent) field and the angular diagram of the diffusively scattered intensity. It is shown that the coherent components of the waves generated on reflection (cross-modes) propagate in directions that are different from the specular one. The dispersion gives rise to the frequency dependence of the scattering diagram even in the geometric-optics approximation.     

Picosecond dynamics of quantum structure carriers measured by time resolved photoinduced intersubband absorption

A novel interband-pump intersubband-probe technique is developed in order to study the dynamics of photogenerated carriers and excitons in GaAs/AlGaAs superlattices by time resolved photoinduced absorption. The photogenerated population reaches a thermal distribution a few picoseconds after the excitation. The time dependence of the intersubband absorption strength and its time resolved excitation spectra yield a measure for the time it takes for that population to cool first to the lattice temperature and then to radiatively decay. The first time is roughly 70-100 ps depending on the excess energy with which the photogenerated carriers are created. The second is on a sub-nanosecond scale and depends linearly on the lattice temperature.     

在(100)GaAs衬底上低温液相外延晶格匹配的In1-xGaxAs1-yPy层及其特性研究

介绍一种低温液相外延技术,可在650℃在GaAs衬底上生长晶格匹配和组份可重复的In1-xGaxAs1-yPy层。给出对外延层进行场发射扫描电镜观察、电子探针、X光双晶衍射、俄歇电子谱和光荧光测量得到的结果。结果表明外延层具有平坦的异质结界面和良好的晶体特性。同时研究了异质结界面的粗糙度和组份梯度变化区域的宽度和晶格失配率的关系。     

Experimental investigation of the temperature field in the gas-liquid two-layer system

Results of an experimental investigation of the temperature field across the liquid-gas two-layer system are presented. The liquid layer is locally heated from the bottom substrate, and the intensive liquid evaporation is observed. A technique for measuring the temperature profile across the liquid and gas layers (including their interface) is developed. To do these measurements, the microthermocouple is moved across the layers with the help of precision micropositioner with a step of 1 μm. The temperature jump at the liquid-gas interface is measured, and its value increases with the temperature increase. Detailed information on the temperature field near the interface is obtained by using the precise thermocouple displacement with a small step.     

Temperature dependent energy bands and the metal-nonmetal transition in NiS

The LCMTO (linear combination of muffin-tin orbitals) technique has been used to calculate the first temperature dependent energy bands for a transtion metal compound. The particular compound studied was hexagonal NiS which undergoes a first-order metal-to-nonmetal transition as the temperature is lowered below 264K. We find the bands to agree well with XPS data and that the Sp bands overlap the bottom of the d bands as predicted by White and Mott. This p-d overlap, which reduces the correlation energy, is found to increase with temperature as a result of lattice vibrations whereas the lattice distortion accompanying the transition has very little effect on the energy bands. This suggests that the Mott-Hubbard transition in NiS is driven by the Debye-Waller modification of the potential and not the lattice distortion as suggested by White and Mott.