Spin dynamics in LiCu<Subscript>2</Subscript>O<Subscript>2</Subscript> and NaCu<Subscript>2</Subscript>O<Subscript>2</Subscript> low-dimensional helical magnets

Comprehensive NMR investigation of low-frequency spin dynamics of LiCu₂O₂ (LCO) and NaCu₂O₂ (NCO) low-dimensional helical magnets in the paramagnetic state has been carried out for the first time. Temperature dependences of the spin–lattice relaxation rate and anisotropy on various LCO/NCO nuclei have been determined at various orientations of single crystals in an external magnetic field. The spatial asymmetry of spin fluctuations in LCO multiferroic has been discovered. The quantitative analysis of the anisotropy of spin–lattice relaxation in LCO/NCO has allowed estimating the contributions of individual neighboring Cu²⁺ ions to the transferred hyperfine field on Li⁺(Na⁺) ions.     

NMR study of the paramagnetic state of low-dimensional magnets LiCu<Subscript>2</Subscript>O<Subscript>2</Subscript> and NaCu<Subscript>2</Subscript>O<Subscript>2</Subscript>

A comprehensive NMR study of the magnetic properties of single crystal LiCu₂O₂ (LCO) and NaCu₂O₂ (NCO) is carried out in the paramagnetic region of the compounds for various orientations of single crystals in an external magnetic field. The values of the electric-field gradient (EFG) tensor, as well as the dipole and transferred hyperfine magnetic fields for ^63,65Cu, ⁷Li, and ²³Na nuclei are determined. The results are compared with the data obtained in previous NMR studies of the magnetically ordered state of LCO/NCO cuprates.     

The band structure of <Emphasis Type="Italic">n</Emphasis>-type cuprate superconductors with the <Emphasis Type="Italic">T</Emphasis>′(<Emphasis Type="Italic">T</Emphasis>) structure taking into account strong electron correlation

The spectral density, dispersion relations, and the position of the Fermi level for n-doped compositions based on NCO and LCO were calculated within the framework of the generalized tight binding method. As distinguished from LCO, the dielectric gap in NCO is nonlinear in character. We observe a virtual level both at the bottom of the conduction band and at the top of the valence band in both compounds. However, its position corresponds to the extreme bottom of the conduction band in LCO and is 0.1–0.2 eV above the bottom in NCO. This explains why we observe Fermi level pinning in n-LCO as the concentration of the doping component grows and reproduce its absence in NCCO at low doping values. We also found both compositions to be unstable in a narrow concentration range with respect to a nonuniform charge density distribution. The relation between the phase diagram for NCCO and the calculated electronic structure is discussed.     

LiCoO_2 Epitaxial Film Enabling Precise Analysis of Interfacial Degradations

Interfacial structure evolution and degradation are critical to the electrochemical performance of LiCoO_2(LCO),the most widely studied and used cathode material in lithium ion batteries.To understand such processes requires precise and quantitative measurements.Herein,we use well-defined epitaxial LCO thin films to reveal the interfacial degradation mechanisms.Through our systematical investigations,we find that surface corrosion is significant after forming the surface phase transition layer,and the cathode electrolyte interphase(CEI) has a double layer structure,an inorganic inner layer containing CoO,LiF,LiOH/Li_2O and Li_xPF_yO_2,and an outmost layer containing Li_2CO_3 and organic carbonaceous components.Furthermore,surface cracks are found to be pronounced due to mechanical failures and chemical etching.This work demonstrates a model material to realize the precise measurements of LCO interfacial degradations,which deepens our understanding on the interfacial degradation mechanisms.     

Resonant tunneling in double barrier structures with GaAs and (InGa)As quantum wells

Resonant tunneling through an (AlGa)As/In_XGa_1−XAs/(AlGa)As double barrier structure has been observed. Three crystals with indium concentration x=0, x=0.08 and x=0.13 were grown. For x=0, GaAs wells, we investigated the variation in resonance voltage, i.e. voltage at peak current, between different diodes across a wafer. The resonance voltage exhibited a skew distribution which is interpreted as an effect of lateral alloy variation in the active layers and differences in contact resistance. For (InGa)Asv quantum wells we found a negative differential resistance at 77 K with a peak-to-valley ratio as large as 3:1. The resonance voltage decreased as the indium concentration x was increased. This is an effect of the position of the ground state which is lowered (due to smaller bandgap) compared to the Fermi level. At x=0.13 the ground state was found to be below the conduction band edge of the GaAs contact regions and therefore the ground state resonance was absent.     

退火处理对磁控溅射制备LaCoO_3薄膜性能的影响

采用磁控溅射法在硅衬底上制备了LaCoO_3(LCO)薄膜,研究了退火温度对LCO薄膜组织结构、表面形貌及热电特性的影响,并利用X射线衍射仪、原子力显微镜(AFM)、激光导热仪等对LCO薄膜的晶体结构、表面形貌、热扩散系数等进行测量与表征.结果表明:退火温度对LCO薄膜的结晶度、晶粒尺寸和薄膜表面形貌都有较大影响;退火前后LCO薄膜的热扩散系数都随温度的升高而减小,且变化速率逐渐减缓; LCO薄膜的热扩散系数随退化温度的升高先增大后减小.LCO薄膜经过700℃退火后得到最佳的综合性能,其薄膜表面致密、平整,结晶质量最好,热扩散系数最小,热电性能最好.     

Nonvolatile Resistive Switching and Physical Mechanism in LaCrO_3 Thin Films

Polycrystalline LaCrO_3(LCO) thin films are deposited on Pt/Ti/SiO_2/Si substrates by pulsed laser deposition and used as the switching material to construct resistive random access memory devices. The unipolar resistive switching(RS) behavior in the Au/LCO/Pt devices exhibits a high resistance ratio of ~104 between the high resistance state(HRS) and low resistance state(LRS) and exhibits excellent endurance/retention characteristics.The conduction mechanism of the HRS in the high voltage range is dominated by the Schottky emission, while the Ohmic conduction dictates the LRS and the low voltage range of HRS. The RS behavior in the Au/LCO/Pt devices can be understood by the formation and rupture of conducting filaments consisting of oxygen vacancies,which is validated by the temperature dependence of resistance and x-ray photoelectron spectroscopy results.Further analysis shows that the reset current I_R and reset power P_R in the reset processes exhibit a scaling law with the resistance in LRS(R_0), which indicates that the Joule heating effect plays an essential role in the RS behavior of the Au/LCO/Pt devices.     

First-order metal-insulator transitions in manganites: are they universal?

Conductivity data for La(2-2x)Sr(1+2xMn2O7 (x = 0.6) show a first-order transition from an orbital- or charge-ordered insulator to a metal as the temperature falls below approximately 160 K. The change in conductivity is 100 times larger than that seen previously in any single-phase manganite in zero field. The metallic low-temperature state is similar to x = 0.58, but x = 0.58 shows no evidence of orbital or charge order. This result supports a conclusion that strongly coupled magnetic-conductive transitions are first order.     

Antiferromagnetic spin fluctuations above the dome-shaped and full-gap superconducting states of LaFeAsO1-xFx revealed by (75)As-nuclear quadrupole resonance

We report a systematic study by (75)As nuclear-quadrupole resonance in LaFeAsO(1-x)F(x). The antiferromagnetic spin fluctuation found above the magnetic ordering temperature T(N) = 58 K for x = 0.03 persists in the regime 0.04 ≤ x ≤ 0.08, where superconductivity sets in. A dome-shaped x dependence of the superconducting transition temperature T(c) is found, with the highest T(c) = 27 K at x = 0.06, which is realized under significant antiferromagnetic spin fluctuation. With increasing x further, the antiferromagnetic spin fluctuation decreases, and so does T(c). These features resemble closely the cuprates La(2-x)Sr(x)CuO(4). In x = 0.06, the spin-lattice relaxation rate (1/T(1)) below T(c) decreases exponentially down to 0.13T(c), which unambiguously indicates that the energy gaps are fully opened. The temperature variation of 1/T(1) below T(c) is rendered nonexponential for other x by impurity scattering.     

Cell-level hazard evaluation of 18650 form-factor Lithium-ion battery with different cathode materials

The thermal runaway process was studied in a Fire Propagation Apparatus (FPA) for three types of Lithium-ion batteries (LIB) of 18650 form-factor. Cathode materials are lithium cobalt oxide (LiCoO₂, or LCO), lithium nickel manganese cobalt oxide (LiNi_1/3Mn_1/3Co_1/3O₂, or NMC), and lithium iron phosphate (LiFePO₄, or LFP). All batteries have a graphite anode and were at a 100% state-of-charge. Each LIB was externally heated to a thermal runaway event, with the heat input at constant values of 20.4 or 34.1 W, which yielded heating rates on the order of 1 K/s, representative of the thermal runaway propagation process. The mass loss fraction before the thermal runaway events and the maximum values are similar under different heat inputs for a given type of LIB. For different types of LIBs, the maximum mass loss fraction shows the trend of LCO>NMC>LFP. Under the same heating condition, NMC has the highest maximum surface temperature followed by LCO then LFP. A lumped heat transfer thermal runaway model is developed using two decomposition reactions and one internal short circuit reaction to model the internal heat generation. The effective model parameters are optimized using the measured surface temperature and mass loss fraction. The model is able to simulate the thermal runaway behavior of LIB under external heating conditions and reasonably matches the experimental data of LIBs with different cathodes. The model predicts that under the same heat input condition, the thermal runaway time of LCO is shorter than NMC and LFP; the effective average internal heat generations are 22.6, 20.2, and 11.5 kJ for LCO, NMC, and LFP, respectively. The thermal runaway model will be used to predict the thermal runaway propagation in a LIB module.     

Effect of electron doping on the magnetic correlations in the bilayered brownmillerite compound Ca(2.5-x)La(x)Sr(0.5)GaMn2O8: a neutron diffraction study

The effect of electron doping on the magnetic properties of the brownmillerite type bilayered compounds has been investigated by neutron powder diffraction in La substituted Ca(2.5-x)La(x)Sr(0.5)GaMn(2)O(8) compounds (x = 0.05 and 0.1), in comparison with the undoped compound (x = 0). In all compounds, a long-range three-dimensional collinear antiferromagnetic (AFM) structure is found below the Néel temperature T(N) of the respective compound, whereas, well above T(N), three-dimensional short-range magnetic ordering is observed. In the intermediate temperature range just above T(N), a strong effect of electron doping (La substitution) on the magnetic correlations has been observed. Here, a short-range AFM correlation with a possible dimensionality of three has been found for substituted compounds (x = 0.05 and 0.1) as compared to the reported two-dimensional long-range AFM ordering in the parent compound. With increasing electron doping, a decrease in T(N) is also observed. The short-range magnetic correlations set in over a large temperature range above T(N). A magnetic phase diagram in the x-T plane is proposed from these results.     

Effects of preadsorbed oxygen on the formation and decomposition of NCO on Rh(111) surfaces

The interaction of HNCO with oxygen dosed Rh(111) surface has been investigated by Auger electron, electron energy loss and thermal desorption spectroscopy. The presence of adsorbed oxygen exerted no apparent influence on the weakly adsorbed HNCO (T_p = 130 K). It promoted, however, the dissociative adsorption of HNCO by forming a strong O—H bond which prevented the associative desorption of HNCO. As a result no H₂ and NH₃ formation occurred, in contrast with the clean surface, and the surface concentration of irreversibly bonded NCO was also increased. New products of the surface reaction were H₂O and CO₂, in addition to CO and N₂ observed on a clean surface. From the behavior of the losses characteristic for the adsorbed NCO it appeared that the preadsorbed oxygen exerted a significant stabilizing effect on the NCO bonded to the Rh.     

La2-xBaxCuO4单晶反常的正常态输运性质研究

测量了La2-xBaxCuO4系列单晶样品的电阻率和热电势,我们发现,当＝0．125（x＝1／8）时,La2-xBaxCuO4的截流子是所有样品中局域化最强的,但数据分析结果显示,它又是弱域化行为,文中我们讨论了Tc的被压制的原因,得出这可能与低温下LTO到LTT的结构相变,空穴与自旋的静态条纹有序有关,热电势结果观察不到任何声子曳引的痕迹,表明在LBCO体系中电声子的相互作用很弱。     

Topological Superconductivity in Cu(x)Bi(2)Se(3)

A topological superconductor (TSC) is characterized by the topologically protected gapless surface state that is essentially an Andreev bound state consisting of Majorana fermions. While a TSC has not yet been discovered, the doped topological insulator Cu(x)Bi(2)Se(3), which superconducts below ～3 K, has been predicted to possess a topological superconducting state. We report that the point-contact spectra on the cleaved surface of superconducting Cu(x)Bi(2)Se(3) present a zero-bias conductance peak (ZBCP) which signifies unconventional superconductivity. Theoretical considerations of all possible superconducting states help us conclude that this ZBCP is due to Majorana fermions and gives evidence for a topological superconductivity in Cu(x)Bi(2)Se(3). In addition, we found an unusual pseudogap that develops below ～20 K and coexists with the topological superconducting state.     

23Na NMR evidence for charge order and anomalous magnetism in NaxCoO2

Oriented powder samples of NaxCoO2 are studied by 23Na NMR and SQUID magnetometry. In nominal 0.50相似文献   

Theoretical study of mechanisms for NCO with CH3 reaction

A detailed computational study has been performed at the QCISD(T)/6-311++G(d,p)//B3LYP/6-311++G(d,p) level for the NCO with CH₃ reaction by constructing singlet and triplet potential energy surfaces (PES). The results show that the title reaction is more favorable for the singlet PES than the triplet PES. On the singlet PES, the dominant channel is the barrierless addition of the O or N atom to the C atom of the methyl group to form CH₃NCO (IM1) and CH₃OCN (IM2). On the triplet PES, the favorable channel is the barrierless addition of the N atom to the C atom of the methyl group to form an intermediate CH₃NCO (³IM2), which then undergoes a N–C bond scission process to give out CH₃N + CO.     

Depression of quasiparticle density of states at zero energy in la1. 9Sr0.1Cu1-xZnxO (4)

We have measured low-temperature specific heat C(T,H) of La 1.9Sr 0. 1Cu 1-xZn xO (4) ( x = 0, 0.01, and 0.02) in both zero and applied magnetic fields. A pronounced dip of C/T below 2 K was observed in Zn-doped samples, which is absent in the nominally clean one. If the origin of the dip in C/T is electronic, the quasiparticle density of states N(E) in Zn-doped samples may be depressed below a small energy scale E0. The present data can be well described by the model N(E) = N(0)+alphaE(1/2), with a nonzero N(0) and positive alpha. Magnetic fields depress N(0) and lead to an increase in E0, while leaving the energy dependence of N(E) unchanged. This novel depression of N(E) below E0 in impurity-doped cuprates cannot be reconciled with the semiclassical self-consistent approximation model. Discussions in the framework based on the nonlinear sigma model field theory and other possible explanations are presented.     

Fermi surface evolution and Luttinger theorem in Na(x)CoO2: a systematic photoemission study

We report a systematic angle-resolved photoemission study on Na(x)CoO2 for a wide range of Na concentrations (0.3 < or = x < or = 0.72). In all the metallic samples at different x, we observed (i) only a single holelike Fermi surface centered around gamma and (ii) its area changes with x according to the Luttinger theorem. We also observed a surface state that exhibits a larger Fermi surface area. The e'(g) band and the associated small Fermi surface pockets near the K points predicted by band calculations are found to sink below the Fermi energy in a manner almost independent of the doping and temperature.     

Unusual Nernst effect suggesting time-reversal violation in the striped cuprate superconductor La(2-x)Ba(x)CuO4

The striped cuprate La(2-x)Ba(x)CuO(4) (x=1/8) undergoes several transitions below the charge-ordering temperature T(co)=54 K. From Nernst experiments, we find that, below T(co), there exists a large, anomalous Nernst signal e(N,even)(H,T) that is symmetric in field H, and remains finite as H→0. The time-reversal violating signal suggests that, below T(co), vortices of one sign are spontaneously created to relieve interlayer phase frustration.     

远红外光纤材料(MnF2)x(BaCl2)100-x玻璃结构的EXAFS和WAXS研究

本文用扩展X射线吸收谱(EXAFS)和X射线大角散射谱(WAXS)对远红外光纤材料复合卤化物玻璃(MnF₂)_x(BaCl₂)_166-x(x=65,60,55)的短程结构进行了研究。从MnK吸收限的EXAFS和样品的非晶衍射图,得到了Mn原子的近邻原子配位信息。结果表明F,Cl原子在Mn原子周围形成了混合配位的八面体(MnCl₂F₄),这些八面体以Mn—F键为桥键连成“之”字型 关键词：