Mn掺杂对半金属铁磁体Fe_2Si电磁特性的影响

此文用基于密度泛函理论第一性原理的贋势平面波方法,计算了Fe_2Si及Mn掺杂Fe_2Si体系的能带结构、电子态密度和磁学特性,分析了不同位置Mn掺杂对Fe_2Si电磁特性的影响,获得了纯的和不同位置Mn掺杂的Fe_2Si体系是铁磁体,自旋向上的能带结构穿过费米面表现金属特性,纯Fe_2Si的半金属隙为0.164e V;Mn掺杂在Fe1位时,自旋向下部分转变为A-M间的间接带隙半导体,体系呈现半金属特性,此时磁矩为2.00μB,是真正的半金属性铁磁体;掺杂在Fe2位时,自旋向下部分的带隙值接近于0,体系呈现金属特性;掺杂在Fe3位时,自旋向下部分转变为L-L间的直接带隙半导体,体系呈现半金属特性等有益结果 .自旋电荷密度分布图表明Mn原子的3d电子比较局域,和周围原子成键时3d电子更倾向于形成共价键.体系的半金属性和磁性主要来源于Fe-3d电子与Mn-3d电子之间的d-d交换,Si-3p电子与Fe、Mn-3d电子之间的p-d杂化.这些结果为半金属铁磁体Fe_2Si的电磁调控提供了有效的理论指导.     

水合金属团簇M~+(H_2O)_n(M=Cu,Ag,Au;n=1-4)的结构和稳定性研究

利用密度泛函理论B3LYP方法优化了M~+(H_2O)_n(M=Cu,Ag,Au;n=1-4)团簇的几何结构,并对它们的稳定性和电子性质进行了系统研究.计算结果表明,Cu~+(H_2O)_n和Ag~+(H_2O)_n团簇的水合骨架结构由三个氧原子与金属离子相连接而成,而Au~+(H_2O)_n团簇则由两个氧原子与金属离子形成的线性结构而得到.通过计算的结合能和HOMO-LUMO能隙也发现:三种水合金属离子体系的稳定性大小为:Eb(Cu)=Eb(Au)Eb(Ag),但是Ag~+(H_2O)_n团簇具有较高的动力学稳定性.这些研究对于今后过渡金属离子水溶液性质的研究和应用提供了重要的理论参考.     

Efficient one-pot synthesis of Ag nanoparticles loaded on N-doped multiphase TiO2 hollow nanorod arrays with enhanced photocatalytic activity

The simultaneous Ag loaded and N-doped TiO₂ hollow nanorod arrays with various contents of silver (Ag/N-THNAs) were successfully synthesized on glass substrates by one-pot liquid phase deposition (LPD) method using ZnO nanorod arrays as template. The catalysts were characterized by Raman spectrum, field-emission scanning electron microscopy (FESEM), high-resolution transmission electron microscope (HRTEM), ultraviolet-vis (UV-vis) absorption spectrum and X-ray photoelectron spectroscopy (XPS). The results suggest that AgNO₃ additive in the precursor solutions not only can promote the anatase-to-rutile phase transition, but also influence the amount of N doping in the samples. The photocatalytic activity of all the samples was evaluated by photodegradation of methylene blue (MB) in aqueous solution. The sample exhibited the highest photocatalytic activity under UV light illumination when the AgNO₃ concentration in the precursor solution was 0.03 M, due to Ag nanoparticles acting as electron sinks; When the AgNO₃ concentration was 0.07 M, the sample performed best under visible light illumination, attributed to the synergetic effects of Ag loading, N doping, and the multiphase structure (anatase/rutile).     

Negative photoconductivity in low-dimensional materials

In recent years,low-dimensional materials have received extensive attention in the field of electronics and optoelectronics.Among them,photoelectric devices based on photoconductive effect in low-dimensional materials have a broad development space.In contrast to positive photoconductivity,negative photoconductivity(NPC)refers to a phenomenon that the conductivity decreases under illumination.It has novel application prospects in the field of optoelectronics,memory,and gas detection,etc.In this paper,we review reports about the NPC effect in low-dimensional materials and systematically summarize the mechanisms to form the NPC effect in existing low-dimensional materials.     

Spatio-temporal measurements of overshoot phenomenon in pulsed inductively coupled discharge

Pulse inductively coupled plasma has been widely used in the microelectronics industry,but the existence of overshoot phenomenon may affect the uniformity of plasma and generate high-energy ions,which could damage the chip.The overshoot phenomenon at various spatial locations in pulsed inductively coupled Ar and Ar/CF_4 discharges is studied in this work.The electron density,effective electron temperature,relative light intensity,and electron energy probability function(EEPF) are measured by using a time-resolved Langmuir probe and an optical probe,as a function of axial and radial locations.At the initial stage of pulse,both electron density and relative light intensity exhibit overshoot phenomenon,i.e.,they first increase to a peak value and then decrease to a convergent value.The overshoot phenomenon gradually decays,when the probe moves away from the coils.Meanwhile,a delay appears in the variation of the electron densities,and the effective electron temperature decreases,which may be related to the reduced strength of electric field at a distance,and the consequent fewer high-energy electrons,inducing limited ionization and excitation rate.The overshoot phenomenon gradually disappears and the electron density decreases,when the probe moves away from reactor centre.In Ar/CF_4 discharge,the overshoot phenomenon of electron density is weaker than that in the Ar discharge,and the plasma reaches a steady density within a much shorter time,which is probably due to the more ionization channels and lower ionization thresholds in the Ar/CF_4 plasma.     

Broadband Sheet Parametric Oscillator for x~((2)) Optical Frequency Comb Generation via Cavity Phase Matching

We demonstrate a broadband optical parametric oscillation, using a sheet cavity, via cavity phase-matching. A21.2 THz broad comb-like spectrum is achieved, with a uniform line spacing of 133.0 GHz, despite a relatively large dispersion of 275.4 fs~2/mm around 1064 nm. With 22.6% high slope efficiency, and 14.9 kW peak power handling, this sheet optical parametric oscillator can be further developed for x~((2)) comb.     

Near-field infrared response of graphene on copper substrate

The electronic properties of graphene are very sensitive to its dielectric environment. The coupling to a metal substrate can give rise to many novel quantum effects in graphene, such as band renormalization and plasmons with unusual properties, which are of high technological interest. Infrared nanoimaging are very suitable for exploring these effects considering their energy and length scales. Here, we report near-field infrared nanoimaging studies of graphene on copper synthesized by chemical vapor deposition. Remarkably, our measurements reveal three different types of near-field optical responses of graphene, which are very distinct from the near-field edge fringes observed in the substrate. These results can be understood from the modification of optical conductivity of graphene due to its coupling with the substrate. Our work provides a framework for identifying the near-field response of graphene in graphene/metal systems and paves the way for studying their novel physics and potential applications.     

The 1/f noise in multiwalled carbon nanotubes

The $1/f$ noise in multiwalled carbon nanotubes bundles has been investigated between the frequency range of 0.1 to 30 Hz. At room temperature the noise spectrum is standard 1/f, and its level is proportional to the square of the bias voltage. With decreasing temperature the noise level also decreases. At 4.2 K the noise level follows a non-monotonic dependence against the bias voltage, showing a peak at a certain bias voltage, meanwhile its frequency dependence also deviates from the 1/f trend. This anomalous behaviour is discussed within the picture of environmental quantum fluctuation of charge transport in the samples.     

Giant magnetocurrent in triple-barrier ferromagnetic resonant-tunneling diode with different magnetization configurations

The authors theoretically investigate a triple-barrier ferromagnetic resonant-tunneling diode composing nonmagnetic couple wells and three GaMnN magnetic barriers, in which two kinds of antiparallel configurations are formed by changing the relative orientation of magnetization in the barriers. Based on a two-band model, the achievement of large magnetocurrents in the resonant bias regime is proposed under an optimal magnetization configuration. The magnetocurrents in both antiparallel configurations of triple-barrier system are much higher than that in double-barrier structure.