Structure of phase change materials for data storage

Phase change materials based on chalcogenide alloys play an important role in optical and electrical memory devices. Both applications rely on the reversible phase transition of these alloys between amorphous and metastable cubic states. However, their atomic arrangements are not yet clear, which results in the unknown phase change mechanism of the utilization. Here using ab initio calculations we have determined the atomic arrangements. The results show that the metastable structure consists of special repeated units possessing rocksalt symmetry, whereas the so-called vacancy positions are highly ordered and layered and just result from the cubic symmetry. Finally, the fast and reversible phase change comes from the intrinsic similarity in the structures of the amorphous and metastable states.     

Unique melting behavior in phase-change materials for rewritable data storage

Ge2Sb2Te5 (GST) is a technologically very important phase-change material for rewritable optical and electrical storage because it can be switched rapidly back and forth between amorphous and crystalline states for millions of cycles by appropriate pulsed heating. However, an understanding of this complicated phenomenon has not yet been achieved. Here, by ab initio molecular dynamics, we unravel the reversible phase transition process of GST. The melting of rocksalt-structured GST is unique in that it forms two-dimensional linear or tangled clusters while keeping order in the perpendicular direction. It is this specific character that results in the fast and reversible phase transition between amorphous and crystalline and hence rewritable data storage.     

Pressure-Induced Metallization and Electrical Phase Diagram for Polycrystalline CaB_6 under High Pressure and Low Temperature

The electrical properties of polycrystalline CaB_6 are revealed by in-situ resistance measurements under high pressure and low temperature.Due to the existence of grain boundaries,polycrystalline CaBe behaves with semiconducting transport properties,which is different from the semimetallic CaBe single crystals.The temperaturedependent resistance measurement results show that before the structural phase transition at 12.3 GPa the high pressure first induces the metallization at 6.5 GPa for CaBe.Moreover,the phase diagram for CaB_6 is drawn based on the investigated electric conducting properties and at ieast three different conducting phases are found even at moderate high pressure and low temperature,indicating that the electric nature of CaBe is very sensitive to the environment.     

Novel layered superstructures in mixed ultralong n-alkanes

Two new types of layered structures were found in binary mixtures of n-alkanes ranging from C122H246 to C294H590. At high temperatures a semicrystalline form is the stable phase, having a regular structure of alternating crystalline and amorphous layers. The two long-chain compounds are mixed in the crystalline layers and the amorphous layers consist of the surplus length of the longer chains. At lower temperatures a reversible transition occurs to a triple layer superlattice structure with a periodicity of up to 50 nm. These two new phases allow the existence of binary solid solutions of chains with a length ratio of up to 1.7 and a chain length difference of 100 CH2 groups.     

Thermally induced effects on structural and electrical properties of selenium-rich Cd-Se thin films

The effect of annealing in nitrogen atmosphere on structural and electrical properties of selenium rich CdSe (SR-CdSe) thin films deposited by thermal evaporation onto glass substrates were studied. X-ray diffraction (XRD) patterns showed that the as-prepared films were amorphous, whereas the annealed films were polycrystalline. Analyzing XRD patterns reveals the coexistence of both Se and CdSe crystalline phases which exhibits a hexagonal structure. The microstructure parameters (crystallite size, microstrain and dislocation density) were calculated for annealed films.Temperature dependence (300–500 K) of d.c. conductivity was studied for as-prepared and annealed thin films. The experimental results indicate that the electrical conduction taking place through thermally activated process. At higher temperatures, electrical conduction for as-prepared film is taking place in the extended states while localized states conduction in the band tails is most likely to take place for annealed films. Regarding the lower temperature range, conduction by hopping in the localized states near the Fermi level is found to be dominant. Thus, conductivity data in this range was analyzed using Mott's variable range hopping conduction, where Mott's parameters were calculated for SR-CdSe thin films.     

Specific heat and electrical resistivity of an icosahedral-structure Zr<Subscript>70</Subscript>Pd<Subscript>30</Subscript> alloy and of its amorphous and crystalline analogs

Binary icosahedral and crystalline phases of the Zr₇₀Pd₃₀ alloy were obtained in crystallization from the amorphous state during heat treatment. The specific heat and electrical resistivity of the icosahedral, amorphous, and crystalline phases were measured and compared. An increase in the electronic density of states on the Fermi surface, lattice softening, and an increase in the electron-phonon coupling constant were observed to occur with decreasing structural order. Despite the high valence electron density in the icosahedral phase, where the electronic densities of states are twice those in the crystal, the electrical resistivity of the icosahedral phase is ～50 times as high. Superconductivity was observed for the first time in the icosahedral phase of a binary system of transition metal atoms, Zr₇₀Pd₃₀.     

关于多层超薄共格结构的导电性质

实验表明Nb/Ti多层超薄共格结构有特殊导电行为。我们认为这种行为反映了这类人工材料的超晶格能带结构特性。随着超晶格周期变小,它由金属的性质向半导体或半金属的性质过渡。超晶格调制使多层超薄共格结构中的电子态分为扩展的和在调制方向定域性很强的两种;它们在沿调制方向具有相差很大的有效质量。我们分别考虑两类电子态的贡献,计算了电阻率和电阻温度系数随超晶格周期的变化,结果显示出实验观察的行为。 关键词：     

The structure and magnetic properties of amorphous magnetic thin films

A review of the structural and magnetic properties of amorphous ferromagnetic and ferrimagnetic thin films is presented. An attempt is made to report structural information on atomic and microstructural scales, and to stress its relevance to the magnetic properties of these materials. The more obvious microstructural features of deposited films are not present in the other important type of amorphous magnetic material prepared by rapid quenching from the melt, and present opportunities for differences in structure dependent magnetic properties. In the main, three classes of amorphous magnetic films are considered. Ferromagnetic transition metal (TM) films which are metastable only at temperatures well below room temperature are discussed. Their importance lies in the fact that they clearly represent the most fundamental amorphous phase. Ferromagnetic transition metal-metalloid (TM-Me) alloys have potential applications as magnetically soft materials. These alloys are, perhaps, the most studied amorphous magnetic materials both in deposited thin film and rapidly quenched ribbon forms. Finally, amorphous rare earth-transition metal (RE-TM) films are reviewed. They exhibit a wide variety of magnetic properties encompassing both extremely low and very high coercivities and also perpendicular magnetic anisotropy. The possible application of these materials in various types of device has encouraged much detailed research into their magnetic properties. This has highlighted the importance of preparation conditions and microstructure in defining their properties.     

Superionic behavior in the xAgI–(1−x)CsAg2I3 polycrystalline system

A superionic phase behavior (with DC ionic conductivities higher than 0.01 S/cm) has been observed in xAgI–(1−x)CsAg₂I₃ (x≈0.67) polycrystalline system grown by slow evaporation using AgI and CsI powders (molar ratio Cs/Ag=0.25) as starting salts and an aqueous solution of HI as solvent. The transition from the normal-to- the superionic state is first-order with a hysteretic behavior in temperature centered at about 116 °C as reflected by thermal (DSC) and electrical conductivity measurements. This mixture is composed of CsAg₂I₃ and AgI crystalline phases and an additional amorphous AgI phase that explains the glassy-type behavior observed in the superionic phase transition.     

Raman spectroscopy study of lattice dynamics of macro-, micro-, and nanostructured barium titanates

The temperature dependences of the components A ₁(2TO) and E(1TO) of the soft ferroelectric mode during phase transitions in single crystals, ceramics, polycrystalline and epitaxial thin films of barium titanate, as well as a superlattice consisting of alternating layers of barium and strontium titanates, have been studied using the Raman spectroscopy method. Abrupt changes in soft mode frequencies have been observed in the single crystal during phase transitions between tetragonal, orthorhombic, and rhombohedral phases. Smoothing of the temperature dependences of soft modes and the coexistence of phases have been observed in ceramics and polycrystalline films. In the epitaxial film, the sequence of structural transformations fundamentally differs from that observed in the single crystal; in the superlattice, the ferroelectric phase is stable to 550 K.     

Origin of the optical contrast in phase-change materials

Several chalcogenide alloys exhibit a pronounced contrast between the optical absorption in the metastable rocksalt and in the amorphous phase. This phenomenon is the basis for their application in optical data storage. Here we present ab initio calculations of the optical properties of GeTe and Ge1Sb2Te4 in the two phases. The analysis of our computations and experimental data reveal the correlation between local structural changes and optical properties as well as the origin of the optical contrast in these materials. We find that the change in optical properties cannot be attributed to a smearing of transition energies as commonly assumed for amorphous semiconductors: the optical contrast between the two phases can only be explained by significant changes in the transition matrix elements.     

Charge density wave states in phase-engineered monolayer VTe2

Charge density wave (CDW) strongly affects the electronic properties of two-dimensional (2D) materials and can be tuned by phase engineering. Among 2D transitional metal dichalcogenides (TMDs), VTe$_{2}$ was predicted to require small energy for its phase transition and shows unexpected CDW states in its T-phase. However, the CDW state of H-VTe$_{2}$ has been barely reported. Here, we investigate the CDW states in monolayer (ML) H-VTe$_{2}$, induced by phase-engineering from T-phase VTe$_{2}$. The phase transition between T- and H-VTe$_{2}$ is revealed with x-ray photoelectron spectroscopy (XPS) and scanning transmission electron microscopy (STEM) measurements. For H-VTe$_{2}$, scanning tunneling microscope (STM) and low-energy electron diffraction (LEED) results show a robust $2\sqrt 3 \times 2\sqrt 3 $ CDW superlattice with a transition temperature above 450 K. Our findings provide a promising way for manipulating the CDWs in 2D materials and show great potential in its application of nanoelectronics.     

Effect of water deposition on the surface dynamics of mesopores in MCM-41

The surface acoustic waves in empty cylindrical pores in the amorphous silica MCM-41 as well as in the same pores partially filled with water are studied with the use of a continuum model. The model is shown to be adequate to predict dispersion relations, cut-off wave vectors and the Airy phases for the secular surface waves of the lowest azimuthal indices n. Quantitative predictions are presented both in the liquid and in the polycrystalline solid phase of water. Two sagittal surface waves exist when water is in the liquid phase. The phase transition to the solid phase (ice) results in the disappearance of the high-frequency mode. All the effects occur in the Terahertz frequency region.     

PHASE TRANSITION PROPERTIES OF A TWO-COMPONENT FINITE MAGNETIC SUPERLATTICE

We study an (l,n) finite superlattice, which consists of two alternative magnetic materials(components) of l and n atomic layers, respectively. Based on the Ising model, we examine the phase transition properties of the magnetic superlattice. By transfer matrix method we derive the equation for Curie temperature of the superlattice. Numerical results are obtained for the dependence of Curie temperature on the thickness and exchange constants of the superlattice.     

Atomic structure and phonons of a Pb ultrathin film on the Al(100) surface

The effect of high dynamic pressures on the electrical conductivity of the amorphous conducting carbon phase (glassy carbon) has been studied. The electrical conductivity of glassy carbon samples has been measured under the condition of shock compression and subsequent release wave. The history of the shock loading of glassy carbon has been calculated with the developed semiempirical equations of state. It has been shown the electrical conductivity of glassy carbon samples in the compression phase at a pressure of 45(5) GPa decreases abruptly by two orders of magnitude. In the relief phase, partially reversible change in the electrical conductivity of an amorphous carbon sample occurs. The recorded effect has been treated as a result of a partially reversible physicochemical transformation of shock-compressed amorphous carbon.     

Ferromagnetism modulation by phase change in Mn-doped GeTe chalcogenide magnetic materials

In this work, an effective method to modulate the ferromagnetic properties of Mn-doped GeTe chalcogenide-based phase change materials is presented. The microstructure of the phase change magnetic material Ge_1?x Mn _x Te thin films was studied. The X-ray diffraction results demonstrate that the as-deposited films are amorphous, and the crystalline films are formed after annealing at 350 °C for 10 min. Crystallographic structure investigation shows the existence of some secondary magnetic phases. The lattice parameters of Ge_1?x Mn _x Te (x = 0.04, 0.12 and 0.15) thin films are found to be slightly different with changes of Mn compositions. The structural analysis clearly indicates that all the films have a stable rhombohedral face-centered cubic polycrystalline structure. The magnetic properties of the amorphous and crystalline Ge_0.96Mn_0.04Te were investigated. The measurements of magnetization (M) as a function of the magnetic field (H) show that both amorphous and crystalline phases of Ge_0.96Mn_0.04Te thin film are ferromagnetic and there is drastic variation between amorphous and crystalline states. The temperature (T) dependence of magnetizations at zero field cooling (ZFC) and field cooling (FC) conditions of the crystalline Ge_0.96Mn_0.04Te thin film under different applied magnetic fields were performed. The measured data at 100 and 300 Oe applied magnetic fields show large bifurcations in the ZFC and FC curves while on the 5,000 Oe magnetic field there is no deviation.     

1,4-bis[2-(4-pyridyl)ethenyl]-benzene衍生物热致变色研究

本文制备了三种在1,4-bis[2-(4-pyridyl)ethenyl]-benzene(bp-eb)上接枝不同烷基链长度的热致变色材料DC8、DC12、DC16. 在365 nm激发光下,随着温度升高,它们呈现出荧光颜色的改变,这种改变来自于晶体态与无定形态之间的转变. 此外,DC16也呈现出光致变色的性质. 通过差示扫描量热法测试得到的相转变温度高于实验过程中荧光颜色改变时的温度. 因此,这种变色行为来自于光与热共同作用的结果. 乙醇可以使粉末变回起始的晶体状态,从而使荧光颜色恢复,实现热致变色行为的可逆. 本研究对理解热致变色分子的结构-性质关系,指导热致变色分子设计具有重要意义.     

Magnetic properties of soft magnetic composites prepared with crystalline and amorphous powders

Physical properties of soft magnetic composites prepared with a mixture of amorphous (FeSiBC) and crystalline (Fe) powders coated with distinct electrical insulator contents are reported. Density, saturation polarization, permeability and coercivity of the cores reduce linearly with the increase of the softer magnetic phase amount and a general relation can be expressed by a rule of mixtures. The behavior of the coercivity, as a function of the magnetic phase content, differs from that previously reported for magnetic composites prepared with equal amounts of magnetic and non-magnetic phases. For frequencies upto 1 kHz the magnetic losses of the cores are constant, following the same behavior of the coercivity. A qualitative explanation of the behavior of the latter is addressed based on an expression applicable for crystalline and amorphous materials.     

A fast method to diagnose phase transition from amorphous to microcrystalline silicon

A series of hydrogenated silicon thin films were prepared by the radio frequency plasma enhanced chemical vapor deposition method (RF-PECVD) with various silane concentrations. The influence of silane concentration on structural and electrical characteristics of these films was investigated to study the phase transition region from amorphous to microcrystalline phase. At the same time, optical emission spectra (OES) from the plasma during the deposition process were monitored to get information about the plasma properties, Raman spectra were measured to study the structural characteristics of the deposited films. The combinatorial analysis of OES and Raman spectra results demonstrated that the OES can be used as a fast method to diagnose phase transition from amorphous to microcrystalline silicon. At last the physical mechanism, why both OES and Raman can be used to diagnose the phase transition, was analyzed theoretically.     

Electronic structure of bis(benzo)pentathienoacene in gas and solid phase: ultraviolet photoemission spectroscopy and energy band calculation

Ultraviolet photoemission spectroscopic measurements of bis (benzo)pentathienoacene were carried out in gas and solid phase. For the measurements of solid phase, vacuum deposited films in both amorphous and crystalline phase were prepared on different substrates of HOPG and polycrystalline Au, respectively. The adiabatic ionization energies were determined to be 6.8₄, 5.3₂, and 5.0₈ eV, for gas, amorphous, and crystalline phases, respectively. The spectral lineshapes were interpreted with the aid of the density functional calculations for both isolated molecule and single-crystal structure. The calculated electronic structures were further analyzed in terms of the energy band dispersion and the transport properties of charge carriers.