食品玻璃化转变温度测量方法的比较

利用差示扫描量热仪用经过退火处理的连续扫描法、不经过退火处理的连续扫描法和分步扫描法,对20％和50％蔗糖水溶液的玻璃化转变温度进行了测量。结果显示,退火处理的连续扫描法测量结果最好,测得蔗糖水溶液的玻璃化转变温度大致为-34．6℃,Tg'不受退火温度和溶液浓度的影响。三种方法测得20％蔗糖水溶液的Tg'的差别不大。退火方法和不退火方法测得50％蔗糖水溶液的Tg'差别很大。用两种不同的连续扫描方法做了几组测新鲜西瓜汁玻璃化转变温度的实验,结果在-42--44℃之间。     

Phase transition and optoelectronic properties of MgH2

In this article, structural and electronic properties of MgH₂ have been studied. The aim behind this study was to find out the ground state crystal structure of MgH₂. For the purpose, density functional theory (DFT)-based full-potential linearized augmented plane wave (FP-LAPW) calculations have been performed in three different space groups: P4₂/mnm (α-MgH₂), Pa3 (β-MgH₂) and Pbcn (γ-MgH₂). It has been found that the ground state structure of MgH₂ is α-MgH₂. The present study shows that α-MgH₂ transforms into γ-MgH₂ at a pressure of 0.41 GPa. After further increase in pressure, γ-MgH₂ transforms into β-MgH₂ at a pressure of 3.67 GPa. The obtained results are in good agreement with previously reported experimental data. In all the studied phases, the behavior of MgH₂ is insulating and its optical conductivity is around 6.0 eV. The α-MgH₂ and γ-MgH₂ are anisotropic materials while β-MgH₂ is isotropic in nature.     

Electronic,structural and magnetic properties of TbO under pressure: FP-LAPW study

ABSTRACT

Using the framework of the density functional theory, we calculated electronic, magnetic and structural properties of terbium oxide (TbO) in rocksalt (RS), cesium chloride (CsCl) and zincblende (ZB). Full potential linearized augmented plane wave (FP-LAPW) method within the local spin density approximation (LSDA) and generalized gradient (PBE-GGA) approximations are used. Magnetic and non-magnetic calculations are performed and a modified version of Becke and Johnson (mBJ) exchange potential has been used to calculate the band gaps. We found that, although TbO is stable in a ferromagnetic state, it is stable in RS phase at ambient condition. Both LSDA and PBE-GGA calculations revealed that the three structures are metallic. However, using the mBJ calculation, it is clear that RS and CsCl phases of TbO compound are metallic, while ZB phase is found to be an insulator in the spin-up case and a semiconductor in the spin-down case at ambient pressure.     

Spectroscopy of low and intermediate Z elements at extreme conditions: in situ studies of Earth materials at pressure and temperature via X-ray Raman scattering

ABSTRACT

X-ray Raman scattering spectroscopy is an emerging method in the study of low and intermediate Z elements' core-electron excitations at extreme conditions in order to reveal information on local structure and electronic state of matter in situ. We discuss the capabilities of this method to address questions in Earth materials' science and demonstrate its sensitivity to detect changes in the oxidation state, electronic structure, coordination, and spin state. Examples are presented for the study of the oxygen K-, silicon L- and iron M-edges. We assess the application of both temperature and pressure in such investigations exploiting diamond anvil cells in combination with resistive or laser heating which is required to achieve realistic conditions of the Earth's crust, mantle, and core.     

Topological nature of in‐gap bound states in disordered large‐gap monolayer transition metal dichalcogenides

We propose a physical model based on disordered (a hole punched inside a material) monolayer transition metal dichalcogenides (TMDs) to demonstrate a large‐gap quantum valley Hall insulator. We find an emergence of bound states lying inside the bulk gap of the TMDs. They are strongly affected by spin–valley coupling, rest‐ and kinetic‐mass terms and the hole size. In addition, in the whole range of the hole size, at least two in‐gap bound states with opposite angular momentum, circulating around the edge of the hole, exist.Their topological insulator (TI) feature is analyzed by the Chern number, characterized by spacial distribution of their probabilities and confirmed by energy dispersion curves (energy vs. angular momentum). It not only sheds light on overcoming low‐temperature operating limitation of existing narrow‐gap TIs, but also opens an opportunity to realize valley‐ and spin‐qubits. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

NⅡ离子2p4f—2p3d辐射跃迁概率的理论研究

在全相对论理论框架下，利用多组态Dirac-Fock(MCDF)方法，系统计算了NⅡ离子2p4f—2p3d的辐射跃迁概率，得到的结果与已有实验值符合很好.具体计算中，详细分析了相对论效应、电子关联、弛豫效应、Breit相互作用和量子电动力学(QED)效应对能级精细结构及辐射跃迁概率的影响.结果表明：相对论效应、电子关联和弛豫效应对NⅡ 2p4f-2p3d辐射跃迁概率有很重要的影响,考虑了这些效应后计算值得到明显改善.     

Charge order and spin order in Nd_(0.5)Sr_(0.5)Mn_(1-x)(Ga_x, Ti_x)O_3 system

Magnetic properties of Nd_(0.5)Sr_(0.5)Mn_(1-x)(Ga_x, Ti_x)O_3 system (0.04≤x≤0.4) were inves- tigated through magnetization and electron spin resonance (ESR) measurements. It was observed that a small amount of Ti substitution for Mn will destroy the charge-ordering (CO) phase completely and induce the cluster-spin-glass phase in the system, which displays a procedure of collapse of CO and of an enhancement of spin ordering (SO) phase. In contrast, the Ga substitution for Mn induces a melt- ing of CO phase in the system. It was observed that with substitution the CO phase is suppressed gradually and the remanent CO phase is retained all the while, and withal, there is a co-existence of AFM CO phase and FM SO at low temperature. In addition, an abrupt rise of magnetization was observed in M-T curves. We attributed this abnormal phenomenon to a transition from canted AFM SO to FM SO in CO region.     

Critical Behavior of the Blume-Emery-Griffiths Model for a Simple Cubic Lattice on the Cellular Automaton

The spin-1 Ising model with the nearest-neighbour bilinear and biquadratic interactions and single-ion anisotropy is simulated on a cellular automaton which improved from the Creutz cellular automaton (CCA) for a simple cubic lattice. The simulations have been made for several k=K/J and d=D/J in the 0≤d<3 and −2≤k≤0 parameter regions. We confirm the existence of the re-entrant and the successive re-entrant phase transitions near the phase boundary. The phase diagrams characterizing phase transitions are presented for comparison with those obtained from other calculations. The static critical exponents are estimated within the framework of the finite-size scaling theory at d=0, 1 and 2 in the interval −2≤k≤0. The results are compatible with the universal Ising critical behavior.     

失谐对耗散耦合腔阵列体系超流-绝缘相变的影响

利用平均场理论和微扰论解析求解了失谐存在且环境作用下Jaynes-Cummings-Hubbard模型的哈密顿量,得到了体系序参量的解析表达式,并讨论了失谐对体系超流一绝缘相变的影响,研究结果表明:调节失谐可以改变腔间的有效排斥势和系统的临界隧穿率,实现系统在超流态和绝缘态之间转变,结合耗散耦合腔阵列的输运性质探讨了失谐对序参量取值的影响,结果显示:沿失谐负支随着失谐的增大,序参量会经历先增后减的变化。