New criterion in predicting glass forming ability of various glass-forming systems

It has been confirmed that glass-forming ability （GFA） of supercooled liquids is related to not only liquid phase stability but also the crystallization resistance. In this paper, it is found that the liquid region interval （T1 - Tg） characterized by the normalized parameter of Tg/T1 could reflect the stability of glass-forming liquids at the equilibrium state, whilst the normalization of supercooled liquid region △Tx=（Tx - Tg）, i.e. △Tx/Tx （wherein T1 is the liquidus temperature, Tg the glass transition temperature, and Tx the onset crystallization temperature） could indicate the crystallization resistance during glass formation. Thus, a new parameter, defined as ζ = Tg/T1＋△Tx/Tx is established to predict the GFA of supercooled liquids. In comparison with other commonly used criteria, this parameter demonstrates a better statistical correlation with the GFA for various glass-forming systems including metallic glasses, oxide glasses and cryoprotectants.     

Superconductivity in CuIr2-xAlxTe4 telluride chalcogenides

The relationship between charge-density-wave (CDW) and superconductivity (SC), two vital physical phases in condensed matter physics, has always been the focus of scientists' research over the past decades. Motivated by this research hotspot, we systematically studied the physical properties of the layered telluride chalcogenide superconductors CuIr$_{2-x}$Al$_{x}$Te$_{4}$ ($0 \leqslant x \leqslant 0.2$). Through the resistance and magnetization measurements, we found that the CDW order was destroyed by a small amount of Al doping. Meanwhile, the superconducting transition temperature ($T_{\rm c}$) kept changing with the change of doping amount and rose towards the maximum value of 2.75 K when $x=0.075$. The value of normalized specific heat jump ($\Delta C/\gamma T_{\rm c}$) for the highest $T_{\rm c}$ sample CuIr$_{1.925}$Al$_{0.075}$Te$_{4}$ was 1.53, which was larger than the BCS value of 1.43 and showed the bulk superconducting nature. In order to clearly show the relationship between SC and CDW states, we propose a phase diagram of $T_{\rm c}$ vs. doping content.     

Effect of substrate temperature on the growth and properties of boron-doped microcrystalline silicon films

Highly conductive boron-doped hydrogenated microcrystalline silicon (\mu c-Si:H) films are prepared by very high frequency plasma enhanced chemical vapour deposition (VHF PECVD) at the substrate temperatures $T_{\rm S})$ ranging from 90$^\circ$C to 270$^\circ$C. The effects of $T_{\rm S}$ on the growth and properties of the films are investigated. Results indicate that the growth rate, the electrical (dark conductivity, carrier concentration and Hall mobility) and structural (crystallinity and grain size) properties are all strongly dependent on $T_{\rm S}$. As $T_{\rm S}$ increases, it is observed that 1) the growth rate initially increases and then arrives at a maximum value of 13.3 nm/min at $T_{\rm S}$=210$^\circ$C, 2) the crystalline volume fraction ($X_{\rm c})$ and the grain size increase initially, then reach their maximum values at $T_{\rm S}$=140$^\circ$C, and finally decrease, 3) the dark conductivity ($\sigma _{\rm d})$, carrier concentration and Hall mobility have a similar dependence on $T_{\rm S}$ and arrive at their maximum values at $T_{\rm S}$=190$^\circ$C. In addition, it is also observed that at a lower substrate temperature $T_{\rm S}$, a higher dopant concentration is required in order to obtain a maximum $\sigma _{\rm d}$.     

Growth and transport features of electron-doped superconductor Pr1-xLaCexCuO4-δ thin films

<正>T’-phase electron-doped superconductor Pr_1-xLaCe_xCuO_4-δ（PLCCO） thin films are successfully prepared on SrTiO₃（100） substrates by using the dc magnetron sputtering method.It is found that the films each have a highly oriented structure along the c-axis.For optimally doped films with x≈0.10,the superconducting transition temperature T_c is 23.5 K,which is similar to that of a single crystal.The quadratic temperature dependence of the resistivity is observed when T > T_c,which can be attributed to the two-dimensional Fermi liquid behaviour.Besides,the optimal conditions for preparing the T’-phase PLCCO thin films are also discussed in detail.     

Origin of magnetization-induced anisotropy of magnetic films

It is proposed that the magnetization-induced anisotropy of magnetic films of cubic crystal structure originates from the anisotropy of atomic pair ordering, shape anisotropy, and strain anisotropy resulting from the constraint of the magnetostriction strain imposed on the film by the substratc. Calculated are the three anisotropy constants and their sum K vs temperature for Ni, Fe, and 55%Ni-Fe films; the room temperature （RT） constants vs the substrate temperature Tt during deposition or annealing after deposition for Ni and 50%Ni Co films; the RT constants vs com- position fraction for Fe-Ni films with Tt = RT, 250℃ and 450℃, Co Ni films at Tt = RT, 100℃ and 320℃, and Fe-Co films with Tt = RT and 300℃; the spread of RT K vs composition fraction for Fe Ni films; and RT △K/K vs composition fraction for Fe-Ni and Co Ni films, where △K denotes the variation of K of the film that is detached from its substrate. The calculated curves well accord with the measurements. The irrelevancy of K to the substrate material and the fast kinetics of the annealing in a field applied in the direction of the hard axis are explained reasonably.[第一段]     

Nanocrystallization behaviour of a ternary amorphous alloy during isothermal annealing： a Monte Carlo simulation

The nanocrystallization behaviour of Zr70Cu20Ni10 metallic glass during isothermal annealing is studied by employing a Monte Carlo simulation incorporating with a modified Ising model and a Q-state Potts model. Based on the simulated microstructure and differential scanning calorimetry curves, we find that the low crystal-amorphous interface energy of Ni plays an important role in the nanocrystallization of primary Zr2Ni. It is found that when T〈T1max （where T1max is the temperature with maximum nucleation rate）, the increase of temperature results in a larger growth rate and a much finer mierostrueture for the primary Zr2Ni, which accords with the microstructure evolution in ＂flash annealing＂. Finally, the Zr2Ni/Zr2Cu interface energy σG contributes to the pinning effect of the primary nano-sized Zr2Ni grains in the later formed normal Zr2Cu grains.     

Incommensurate-commensurate magnetic phase transition in double tungstate Li2Co(WO4)2

Magnetic susceptibility, specific heat, and neutron powder diffraction measurements have been performed on polycrystalline Li$_{2}$Co(WO$_{4}$)$_{2}$ samples. Under zero magnetic field, two successive magnetic transitions at $T_{\rm N1}\sim 9.4$ K and $T_{\rm N2}\sim 7.4$ K are observed. The magnetic ordering temperatures gradually decrease as the magnetic field increases. Neutron diffraction reveals that Li$_{2}$Co(WO$_{4}$)$_{2}$ enters an incommensurate magnetic state with a temperature dependent $\bm k$ between $T_{\rm N1}$ and $T_{\rm N2}$. The magnetic propagation vector locks-in to a commensurate value $\bm k = (1/2, 1/4, 1/4)$ below $T_{\rm N2}$. The antiferromagnetic structure is refined at 1.7 K with Co$^{2+}$ magnetic moment 2.8(1) $\mu_{\rm B}$, consistent with our first-principles calculations.     

A simulation study of microstructure evolution during solidification process of liquid metal Ni

A molecular dynamics simulation study has been performed for the microstructure evolution in a liquid metal Ni system during crystallization process at two cooling rates by adopting the embedded atom method (EAM) model potential. The bond-type index method of Honeycutt--Andersen (HA) and a new cluster-type index method (CTIM-2) have been used to detect and analyse the microstructures in this system. It is demonstrated that the cooling rate plays a critical role in the microstructure evolution: below the crystallization temperature $T_{\rm c}$, the effects of cooling rate are very remarkable and can be fully displayed. At different cooling rates of $2.0\times10^{13}$\,K\,$\cdot$\,s$^{-1}$ and $1.0\times10^{12}$\,K\,$\cdot$\,s$^{-1}$, two different kinds of crystal structures are obtained in the system. The first one is the coexistence of the hcp (expressed by (12 0 0 0 6 6) in CTIM-2) and the fcc (12 0 0 0 12 0) basic clusters consisting of 1421 and 1422 bond-types, and the hcp basic cluster becomes the dominant one with decreasing temperature, the second one is mainly the fcc (12 0 0 0 12 0) basic clusters consisting of 1421 bond-type, and their crystallization temperatures $T_{\rm c}$ would be 1073 and 1173\,K, respectively.     

Magnetic properties and magnetocaloric effects in Tb6Co1.67Si3 compound

Magnetic properties and magnetocaloric effects of Tb₆Co_1.67Si₃ have been investigated by magnetization measurement. This compound is of a hexagonal Ce$_{6}$Ni$_{2}$Si$_{3}$-type structure with a saturation magnetization of 187\,emu/g at 5\,K and a reversible second-order magnetic transition at Curie temperature $T_{\rm C} = 186$\,K. A magnetic entropy change $\Delta S = 7$\,J\,$\cdot$\,kg$^{-1}$\,$\cdot$\,K$^{-1}$ is observed for a magnetic field change from 0 to 5\,T. A large value of refrigerant capacity (RC) is found to be 330\,J/kg for fields ranging from 0 to 5\,T. The large RC, the reversible magnetization around $T_{\rm C}$ and the easy fabrication make the Tb₆Co_1.67Si₃ compound a suitable candidate for magnetic refrigerants in a corresponding temperature range.     

Effect of R substitution on magnetic properties and magnetocaloric effects of La1-xRxFe11.5Si1.5 compounds with R=Ce, Pr and Nd

<正>Magnetic properties and magnetocaloric effects of La_1-xR_xFe₁₁₀₅ Si₉105)（R=Pr,（0≤x≤0.5）;R = Ce and Nd, （0≤x≤0.3）） compounds are investigated.Partially replacing La with R = Ce,Pr and Nd in La_1-xR_xFe_11.5Si_1.5 leads to a reduction in Curie temperature due to the lattice contraction.The substitution of R for La causes an enhancement in field-induced itinerant electron metamagnetic transition,which leads to a remarkable increase in magnetic entropy change△S_m and also in hysteresis loss.However,a high effective refrigerant capacity RC_eff is still maintained in La_1-xR_xFe_11.5Si_1.5.In the present samples,a large△S_m and a high RC_eff have been achieved simultaneously.     

Magnetocaloric properties and Griffiths phase of ferrimagnetic cobaltite CaBaCo4O7

We present a study on the magnetocaloric properties of a CaBaCo$_{4}$O$_{7}$ polycrystalline cobaltite along with research on the nature of magnetic phase transition. The magnetization as a function of temperature identifies the ferrimagnetic to paramagnetic transition at a Curie temperature of 60 K. Moreover, a Griffiths-like phase is confirmed in a temperature range above $T_{\rm C}$. The compound undergoes a crossover from the first to second-order ferrimagnetic transformation, as evidenced by the Arrott plots, scaling of the universal entropy curve, and field-dependent magnetic entropy change. The maximum of entropy change is 3 J/kg$\cdot$K for $\Delta H = 7$ T at ${T}_{\rm C}$, and a broadening of the entropy peak with increasing magnetic field indicates a field-induced transition above $T_{\rm C}$. The analysis of the magnetic entropy change using the Landau theory reveals the second-order phase transition and indicates that the magnetocaloric properties of CaBaCo$_{4}$O$_{7}$ are dominated by the magnetoelastic coupling and electron interaction. The corresponding values of refrigerant capacity and relative cooling power are estimated to be 33 J/kg and 42 J/kg, respectively.     

SF_6分子最高占据轨道对称性的判断

量化计算是理论研究分子的重要手段,对于具有高对称群的分子,采用子群计算是常用的方法.分子的电子态或分子轨道等的对称性在子群的表示中会出现重迭,从而不能从子群的结果直接给出电子态或分子轨道对称性的归属.本文以如何判断SF6基态1 A_(1g)的电子组态中最高占据轨道的对称性为例来解决这个问题.针对某些文献中的SF6基态1 A1g的电子组态中,最高占据轨道对称性是T_(1g)却写成T_(2g)的问题,采用Molpro量化计算软件,对SF6基态的平衡结构,进行了HF/6-311G*计算,得到了能量三重简并的最高占据轨道的函数表达式,进而运用O_h群的对称操作作用在三个轨道函数上,得到各操作的矩阵表示,于是得到特征标,最后确定了最高占据轨道为T_(1g)对称性.     

Superconducting properties of the C15-type Laves phase ZrIr2 with an Ir-based kagome lattice

We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr$_2$. It crystallizes in a C15-type (cubic MgCu$_2$-type, space group $Fd\overline{3}m$) structure in which the Ir atoms form a kagome lattice, with cell parameters $a=b=c=7.3596(1)$ Å. Resistivity and magnetic susceptibility measurements indicate that ZrIr$_2$ is a type-II superconductor with a transition temperature of 4.0 K. The estimated lower and upper critical fields are 12.8 mT and 4.78 T, respectively. Heat capacity measurements confirm the bulk superconductivity in ZrIr$_2$. ZrIr$_2$ is found to possibly host strong-coupled s-wave superconductivity with the normalized specific heat change $\Delta C_{\rm e}/\gamma T_{\rm c} \sim 1.86$ and the coupling strength $\Delta_0/k_{\rm B}T_{\rm c} \sim 1.92$. First-principles calculations suggest that ZrIr$_2$ has three-dimensional Fermi surfaces with simple topologies, and the states at Fermi level mainly originate from the Ir-5d and Zr-4d orbitals. Similar to SrIr$_2$ and ThIr$_2$, spin--orbit coupling has dramatic influences on the band structure in ZrIr$_2$.     

CrAlGe: An itinerant ferromagnet with strong tunability by heat treatment

We present a comprehensive investigation on CrAlGe and realize that it is an itinerant ferromagnet with strong tunability of the Curie temperature $T_{\rm C}$ and the spontaneous moment $\mu_0$ depending on annealing heat treatment. While the value of $T_{\rm C}$ was previously reported to be 80 K with $\mu_0\approx$ 0.41$\mu_{\rm B}$, in this work the two quantities attain values as high as 170 K and 0.66$\mu_{\rm B}$, respectively. Heat treatment does not cause changes of the lattice parameters and symmetry, but results in a slight narrowing of the Bragg peaks. The strong tunability of the itinerant ferromagnetism indicates significantly tunable hybridization between the Cr 3d electrons and the conduction bands, in agreement with the dominant Cr-Al/Ge bonds of this compound. Further tuning along the same line towards even stronger or weaker itinerant ferromagnetism promises an interesting follow-up to clarify the localized-itinerant duality of the 3d electrons in this compound.     

Magnetism and giant magnetocaloric effect in rare-earth-based compounds R_3BWO_9(R = Gd,Dy, Ho)

The magnetism and magnetocaloric effect(MCE) of rare-earth-based tungstate compounds R_3 BWO_9(R=Gd,Dy,Ho) have been studied by magnetic susceptibility,isothermal magnetization,and specific heat measurements.No obvious long-range magnetic ordering can be found down to 2 K.The Curie-Weiss fitting and magnetic susceptibilities under different applied fields reveal the existence of weak short-range antiferromagnetic couplings at low temperature in these systems.The calculations of isothermal magnetization exhibit a giant MCE with the maximum changes of magnetic entropy being 54.80 J/kg-K at 2 K for Gd_3 BWO_9,28.5 J/kg-K at 6 K for Dy_3 BWO_9,and 29.76 J/kg-K at 4 K for Ho_3 BWO_9,respectively,under a field change of 0-7 T.Especially for Gd_3 BWO_9,the maximum value of magnetic entropy change(-ΔS_M~(max)) and adiabatic temperature change(-ΔT_(ad)~(max)) are 36.75 J/kg·K and 5.56 K for a low field change of 0-3 T,indicating a promising application for low temperature magnetic refrigeration.     

The electric and magnetic properties of epitaxially grown A0.5-xLaxSr0.5MnO3 （A=Pr, Nd） thin film

The epitaxial （single crystal-like） Pr0.4La0.1Sr0.5MnO3 （PLSMO） and Nd0.35La0.15Sr0.5MnO3 （NLSMO） thin films are prepared and characterized, and the electric and magnetic properties are examined. We find that both PLSMO and NLSMO have their own optimum deposition temperature （To） in their growing into epitaxial thin films. When the deposition temperature is higher than To, a c-axis oriented but polycrystalline thin film grows; when the deposition temperature is lower than To, the thin film tends to be a-axis oriented and also polycrystalline. The most important point is that for the epitaxial PLSMO and NLSMO thin films the electronic phase transitions are closely consistent with the magnetic phase transitions, i.e. an antiferromagnetic phase corresponds to an insulating state, a ferromagnetic phase corresponds to a metallic state and a paramagnetic phase corresponds to a semiconducting state, while for the polycrystalline thin films the electronic phase transitions are always not consistent with the magnetic transitions.     

Magnetic properties and magnetocaloric effect in RE55Co30Al10Si5 (RE = Er and Tm) amorphous ribbons

The magnetic and magnetocaloric effects (MCE) of the amorphous $RE_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ ($RE={\rm Er}$ and Tm) ribbons were systematically investigated in this paper. Compounds with $R ={\rm Er}$ and Tm undergo a second-order magnetic phase transition from ferromagnetic (FM) to paramagnetic (PM) around Curie temperature $T_{\rm C} \sim 9.3$ K and 3 K, respectively. For Er$_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ compound, an obvious magnetic hysteresis and thermal hysteresis were observed at low field below 6 K, possibly due to spin-glass behavior. Under the field change of 0 T-5 T, the maximum values of magnetic entropy change ($-\Delta S_{\rm M}^{\rm max}$) reach as high as 15.6 J/kg$\cdot$K and 15.7 J/kg$\cdot$K for Er$_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ and Tm$_{55}$Co$_{30}$Al$_{10}$Si$_{5}$ compounds, corresponding refrigerant capacity (RC) values are estimated as 303 J/kg and 189 J/kg, respectively. The large MCE makes amorphous $RE_{55}$Co$_{30}$Al$_{10}$Si$_{5 }$ ($RE={\rm Er}$ and Tm) alloys become very attractive magnetic refrigeration materials in the low-temperature region.     

Kiselev黑洞的热力学性质和物质吸积特性

本文考虑带有黑洞视界和宇宙视界的Kiselev时空.研究以黑洞视界和宇宙视界为边界的系统的热力学性质.统一地给出了两个系统的热力学第一定律;在黑洞视界半径远小于宇宙视界半径的情况下,近似地计算了通过宇宙视界和黑洞视界的热能.然后,探讨Kiselev时空的物质吸积特性.在吸积能量密度正比于背景能量密度的条件下给出黑洞的吸积率,讨论了黑洞吸积率与暗能量态方程参数的关系.     

Electron tunnelling phase time and dwell time through an associated delta potential barrier

The electron tunnelling phase time τP and dwell time τD through an associated delta potential barrier U(x) = ξδ(x) are calculated and both are in the order of 10^-17～10^-16s. The results show that the dependence of the phase time on the delta barrier parameter ξ can be described by the characteristic length lc = h^2/meξ and the characteristic energy Ec=meξ^2/h^2 of the delta barrier, where me is the electron mass, lc and Ec are assumed to be the effective width and height of the delta barrier with lcEc=ξ, respectively. It is found that TD reaches its maximum and τD = τp as the energy of the tunnelling electron is equal to Ec/2, i.e. as lc =λDB, λDB is de Broglie wave length of the electron.     

Slight Co-doping tuned magnetic and electric properties on cubic BaFeO3 single crystal

The single crystal of cubic perovskite BaFeO$_{3}$ shows multiple magnetic transitions and external stimulus sensitive magnetism. In this paper, a 5%-Co-doped BaFeO$_{3}$ (i.e. BaFe$_{0.95}$Co$_{0.05}$O$_{3})$ single crystal was grown by combining floating zone methods with high-pressure techniques. Such a slight Co doping has little effect on crystal structure, but significantly changes the magnetism from the parent antiferromagnetic ground state to a ferromagnetic one with the Curie temperature $T_{\rm C} \approx 120$ K. Compared with the parent BaFeO$_{3}$ at the induced ferromagnetic state, the saturated magnetic moment of the doped BaFe$_{0.95}$Co$_{0.05}$O$_{3}$ increases by about 10% and reaches 3.64 $\mu_{\rm B}$/f.u. Resistivity and specific heat measurements show that the ferromagnetic ordering favors metallic-like electrical transport behavior for BaFe$_{0.95}$Co$_{0.05}$O$_{3}$. The present work indicates that Co-doping is an effective method to tune the magnetic and electric properties for the cubic perovskite phase of BaFeO$_{3}$.