Theoretica Study on defects associated with lead vacancies in PbWO4 crystals

The defects associated with lead vacancies(VPd)in lead tungstate crystals(PbWO4) are investigated by the relativistic self-consistent discrete variational embedded cluster method.We focus on the density of states and the effect of Vpb on surroundings,the results show that the existence of Vpb can diminish the bandwidth of WOr^2- group,however,it can neither produce O^- and Pb^3 ions nor result in absorptions at 350 and 420nm,The charge balance of VPb may be evenly compensated by the surrounding oxygen ions.     

Effects of concentration and annealing on the performance of regioregular poly（3-hexylthiophene） field-effect transistors

This paper investigates the effects of concentration on the crystalline structure, the morphology, and the charge carrier mobility of regioregular poly(3-hexylthiophene) (RR-P3HT) field-effect transistors (FETs). The RR-P3HT FETs with RR-P3HT as an active layer with different concentrations of RR-P3HT solution from 0.5~wt% to 2~wt% are prepared. The results indicate that the performance of RR-P3HT FETs improves drastically with the increase of RR-P3HT weight percentages in chloroform solution due to the formation of more microcrystalline lamellae and bigger nanoscale islands. It finds that the field-effect mobility of RR-P3HT FET with 2~wt% can reach 5.78× 10^-3~cm²/Vs which is higher by a factor of 13 than that with 0.5~wt%. Further, an appropriate thermal annealing is adopted to improve the performance of RR-P3HT FETs. The field-effect mobility of RR-P3HT FETs increases drastically to 0.09~cm²/Vs by thermal annealing at 150~℃, and the value of on/off current ratio can reach 10^4.     

Characterization of ZnO nanowire field-effect transistors and exposed to ultraviolet radiation

A ZnO nanowire (NW) field-effect transistor (FET) is fabricated and characterized, and its characterization of ultraviolet radiation is also investigated. On the one hand, when the radiation time is 5~min, the radiation intensity increases to 5.1~μ W/cm², while the saturation drain current (I_\rm dss) of the nanowire FET decreases sharply from 560 to 320~nA. The field effect mobility (μ ) of the ZnO nanowire FET drops from 50.17 to 23.82~cm²/(V.s) at V_\rm DS=2.5~V, and the channel resistivity of the FET increases by a factor of 2. On the other hand, when the radiation intensity is 2.5~μ W/cm^2 , the DC performance of the FET does not change significantly with irradiation time (its performances at irradiation times of 5 and 20~min are almost the same); in particular, the I_\rm dss of NW FET only reduces by about 50~nA. Research is underway to reveal the intrinsic properties of suspended ZnO nanowires and to explore their device applications.     

Improved performance of MoS2 FET by in situ NH3 doping in ALD Al2O3 dielectric

Since defects such as traps and oxygen vacancies exist in dielectrics, it is difficult to fabricate a high-performance MoS$_{2}$ field-effect transistor (FET) using atomic layer deposition (ALD) Al$_{2}$O$_{3}$ as the gate dielectric layer. In this paper, NH$_{3}$ in situ doping, a process treatment approach during ALD growth of Al$_{2}$O$_{3}$, is used to decrease these defects for better device characteristics. MoS$_{2}$ FET has been well fabricated with this technique and the effect of different NH$_{3}$ in situ doping sequences in the growth cycle has been investigated in detail. Compared with counterparts, those devices with NH$_{3}$ in situ doping demonstrate obvious performance enhancements: $I_{\rm on}/I_{\rm off}$ is improved by one order of magnitude, from $1.33\times 10^{5}$ to $3.56\times 10^{6}$, the threshold voltage shifts from $-0.74 $ V to $-0.12$ V and a small subthreshold swing of 105 mV/dec is achieved. The improved MoS$_{2}$ FET performance is attributed to nitrogen doping by the introduction of NH$_{3}$ during the Al$_{2}$O$_{3}$ ALD growth process, which leads to a reduction in the surface roughness of the dielectric layer and the repair of oxygen vacancies in the Al$_{2}$O$_{3}$ layer. Furthermore, the MoS$_{2}$ FET processed by in situ NH$_{3}$ doping after the Al and O precursor filling cycles demonstrates the best performance; this may be because the final NH$_{3}$ doping after film growth restores more oxygen vacancies to screen more charge scattering in the MoS$_{2}$ channel. The reported method provides a promising way to reduce charge scattering in carrier transport for high-performance MoS$_{2 }$ devices.     

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.     

High energy electron radiation effect on Ni/4H-SiC SBD and Ohmic contact

The Ni/4H-SiC Schottky barrier diodes (SBDs) and transfer length method (TLM) test patterns of Ni/4H-SiC Ohmic contacts were fabricated, and irradiated with 1~MeV electrons up to a dose of 3.43× 10¹⁴~e/cm^-2. After radiation, the forward currents of the SBDs at 2~V decreased by about 50%, and the reverse currents at -200~V increased by less than 30%. Schottky barrier height (φ _B ) of the Ni/4H-SiC SBD increased from 1.20~eV to 1.21~eV under 0~V irradiation bias, and decreased from 1.25~eV to 1.19~eV under -30~V irradiation bias. The degradation of φ _B could be explained by the variation of interface states of Schottky contacts. The on-state resistance (R_s) and the reverse current increased with the dose, which can be ascribed to the radiation defects in bulk material. The specific contact resistance (\rho_c) of the Ni/SiC Ohmic contact increased from 5.11× 10⁵~Ωega.cm² to 2.97× 10^-4~Ωega.cm².     

Spin polarization effect for Cr2 molecule

Density functional theory （DFT） （B3P86） of Gaussian 03 has been used to optimize the structure of the Cr2 molecule, a transition metal element molecule. The result shows that the ground state for the Cr2 molecule is a 13- multiple state, indicating that there exists a spin polarization effect in the Cr2 molecule. Meanwhile, we have not found any spin pollution because the wave function of the ground state does not mingle with wave functions of higher-energy states. So the ground state for Cr2 molecule being a 13-multiple state is indicative of spin polarization effect of the Cr2 molecule among transition metal elements, that is, there are 12 parallel spin electrons in the Cr2 molecule. The number of non-conjugated electrons is greatest. These electrons occupy different spatial orbitals so that the energy of the Cr2 molecule is minimized. It can be concluded that the effect of parallel spin in the Cr2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell Sorbie potential functions with the parameters for the ground state and other states of the Cr2 molecule are derived. The dissociation energy De for the ground state of the Cr2 molecule is 0.1034eV, equilibrium bond length Re is 0.3396 nm, and vibration frequency we is 73.81cm^-1. Its force constants f2, f3 and f4 are 0.0835, -0.2831 and 0.3535 aJ. nm^-4 respectively. The other spectroscopic data for the ground state of the Cr2 molecule ωeχe, Be and αe are 1.2105, 0.0562 and 7.2938 x 10^-4cm^-1 respectively.     

New aspects of HCI test for ultra-short channel n-MOSFET devices

Hot carriers injection (HCI) tests for ultra-short channel n-MOSFET devices were studied. The experimental data of short channel devices (75--90\,nm), which does not fit formal degradation power law well, will bring severe error in lifetime prediction. This phenomenon usually happens under high drain voltage ($V_{\rm d}$) stress condition. A new model was presented to fit the degradation curve better. It was observed that the peak of the substrate current under low drain voltage stress cannot be found in ultra-short channel device. Devices with different channel lengths were studied under different $V_{\rm d}$ stresses in order to understand the relations between peak of substrate current ($I_{\rm sub}$) and channel length/stress voltage.     

Mutual recombination in slow Si^＋ ＋ H^- collisions

This paper studies the process of mutual neutralization of Si^＋ and H^- ions in slow collisions within the multichannel Landau-Zener model. All important ionic-covalent couplings in this collision system are included in the collision dynamics. The cross sections for population of specific final states of product Si atom are calculated in the CM energy range 0.05 e∨/u-5 ke∨/u. Both singlet and triplet states are considered. At collision energies below -10 e∨/u, the most populated singlet state is Si（3p4p, ^1S0）, while for energies above -150e∨/u it is the Si（3p, 4p, ^1P1） state. In the case of triplet states, the mixed 3p4p（^3S1 ＋^3P0） states are the most populated in the entire collision energy range investigated. The total cross section exhibits a broad maximum around 200 300e∨/u and for ECM ≤ 10e∨/u it monotonically increases with decreasing the collision energy, reaching a value of 8 × 10^-13 cm^2 at ECM = 0.05 e∨/u. The ion-pair formation process in Si（3p^2 ^3PJ）＋H（1s） collisions has also been considered and its cross section in the considered energy range is very small （smaller than 10^-20 cm^2 in the energy region below 1 ke∨/u）.     

Chirality-asymmetry force between ɑ-quartz and copper block

The chirality-asymmetry macroscopic force mediated by light pseudoscalar particles between α -quartz and some achiral matter is studied. If this force between achiral source mass and α -quartz with some chirality is attractive, it will become repulsive when the chirality of the α -quartz crystal is changed. According to the tested limits of the coupling constant g_s g_p /\hbar c< 1.5× 10^-24 at the Compton wavelength λ = 10^-3 m, the force (F) between a 0.08× 0.08× 0.002 m³ block of α -quartz and a 0.08× 0.08× 0.01 m³ copper block with a separation being 0.5× 10^-3 \mbox{m} in between, is estimated from the published data at less than 4.64× 10^-24 N, i.e. F < 4.64× 10^-24 N.     

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.     

A novel Si-rich SiN bilayer passivation with thin-barrier AlGaN/GaN HEMTs for high performance millimeter-wave applications

We demonstrate a novel Si-rich SiN bilayer passivation technology for AlGaN/GaN high electron mobility transistors (HEMTs) with thin-barrier to minimize surface leakage current to enhance the breakdown voltage. The bilayer SiN with 20-nm Si-rich SiN and 100-nm Si$_{3}$N$_{4}$ was deposited by plasma-enhanced chemical vapor deposition (PECVD) after removing 20-nm SiO$_{2}$ pre-deposition layer. Compared to traditional Si$_{3}$N$_{4}$ passivation for thin-barrier AlGaN/GaN HEMTs, Si-rich SiN bilayer passivation can suppress the current collapse ratio from 18.54% to 8.40%. However, Si-rich bilayer passivation leads to a severer surface leakage current, so that it has a low breakdown voltage. The 20-nm SiO$_{2}$ pre-deposition layer can protect the surface of HEMTs in fabrication process and decrease Ga-O bonds, resulting in a lower surface leakage current. In contrast to passivating Si-rich SiN directly, devices with the novel Si-rich SiN bilayer passivation increase the breakdown voltage from 29 V to 85 V. Radio frequency (RF) small-signal characteristics show that HEMTs with the novel bilayer SiN passivation leads to $f_{\rm T}/f_{\rm max}$ of 68 GHz/102 GHz. At 30 GHz and $V_{\rm DS} = 20$ V, devices achieve a maximum $P_{\rm out}$ of 5.2 W/mm and a peak power-added efficiency (PAE) of 42.2%. These results indicate that HEMTs with the novel bilayer SiN passivation can have potential applications in the millimeter-wave range.     

Enhanced optical nonlinear absorption of graded Au--TiO2 composite films

This paper reports that single-layer and graded Au-TiO2 granular composite films with Au atom content 15%- 66% were prepared by using reactive co-sputtering technique. The third-order optical nonlinearity of single-layer and graded composite films was investigated by using s- and p-polarized Z-scans in femtosecond time scale. The nonlinear absorption coefficient βeff of single-layer Au-TiO2 films is measured to be -2.3×10^3-0.76×10^3 cm/GW with Au atom content 15%-66%. The βeff value of the 10-layer Au-TiO2 graded film is enhanced to be -2.1×10^4cm/GW calculated from p-polarized Z-scans, which is about ten times the maximum βeff of single-layer films. Broadened response in the wavelength region 730-860 nm of the enhanced optical nonlinearity of graded Au-TiO2 composite films was also investigated.     

Investigation of the characteristics of GIDL current in 90nm CMOS technology

A specially designed experiment is performed for investigating gate-induced drain leakage (GIDL) current in 90nm CMOS technology using lightly-doped drain (LDD) NMOSFET. This paper shows that the drain bias $V_{\rm D}$ has a strong effect on GIDL current as compared with the gate bias $V_{\rm G}$ at the same drain--gate voltage $V_{\rm DG}$. It is found that the difference between $I_{\rm D}$ in the off-state $I_{\rm D}-V_{\rm G}$ characteristics and the corresponding one in the off-state $I_{\rm D}-V_{\rm D}$ characteristics, which is defined as $I_{\rm DIFF}$, versus $V_{\rm DG}$ shows a peak. The difference between the influences of $V_{\rm D}$ and $V_{\rm G}$ on GIDL current is shown quantitatively by $I_{\rm DIFF}$, especially in 90nm scale. The difference is due to different hole tunnellings. Furthermore, the maximum $I_{\rm DIFF }$($I_{\rm DIFF,MAX})$ varies linearly with $V_{\rm DG}$ in logarithmic coordinates and also $V_{\rm DG}$ at $I_{\rm DIFF,MAX}$ with $V_{\rm F}$ which is the characteristic voltage of $I_{\rm DIFF}$. The relations are studied and some related expressions are given.     

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.     

Physical analysis of normally-off ALD Al2O3/GaN MOSFET with different substrates using self-terminating thermal oxidation-assisted wet etching technique

Based on the self-terminating thermal oxidation-assisted wet etching technique, two kinds of enhancement mode Al$_{2}$O$_{3}$/GaN MOSFETs (metal-oxide-semiconductor field-effect transistors) separately with sapphire substrate and Si substrate are prepared. It is found that the performance of sapphire substrate device is better than that of silicon substrate. Comparing these two devices, the maximum drain current of sapphire substrate device (401 mA/mm) is 1.76 times that of silicon substrate device (228 mA/mm), and the field-effect mobility ($\mu_{\rm FEmax}$) of sapphire substrate device (176 cm$^{2}$/V$\cdot$s) is 1.83 times that of silicon substrate device (96 cm$^{2}$/V$\cdot$s). The conductive resistance of silicon substrate device is 21.2 $\Omega {\cdot }$mm, while that of sapphire substrate device is only 15.2 $\Omega {\cdot }$mm, which is 61% that of silicon substrate device. The significant difference in performance between sapphire substrate and Si substrate is related to the differences in interface and border trap near Al$_{2}$O$_{3}$/GaN interface. Experimental studies show that (i) interface/border trap density in the sapphire substrate device is one order of magnitude lower than in the Si substrate device, (ii) Both the border traps in Al$_{2}$O$_{3}$ dielectric near Al$_{2}$O$_{3}$/GaN and the interface traps in Al$_{2}$O$_{3}$/GaN interface have a significantly effect on device channel mobility, and (iii) the properties of gallium nitride materials on different substrates are different due to wet etching. The research results in this work provide a reference for further optimizing the performances of silicon substrate devices.     

The effects of interstitial oxygen on superconducting electronic phases in strontium and oxygen co-doped La1.937Sr0.063CuO4＋δ

Strontium and oxygen co-doped La1.937Sr0.063CuO4＋δ superconductor with Tc≈ 40K, which is obtained by oxidizing strontium-doped starting ceramic sample La1.937Sr0.063CuO4 in NaC10 solution, is annealed under different conditions to allow interstitial oxygen to redistribute. The evolution of the intrinsic superconducting property with the oxygen redistribution is studied in detail by magnetic measurements in various fields. It is found that there occurs the electronic phase separation from the single superconducting phase with Tc ≈ 40 K into two coexisting superconducting states with values of Tc： 15 and 40K or of 15 and 35 K in this system, depending on annealing condition. Our results indicate that the 15, 35 and 40 K superconducting phases associated with the excess oxygen redistribution are all thermodynamically meta-stable intrinsic states in this Sr/O co-doped cuprate.     

Anomalous magnetic properties of an iron film system deposited on fracture surfaces of α-Al2O3 ceramics

An iron film percolation system is fabricated by vapour-phase deposition on fracture surfaces of α-Al2O3 ceramics. The zero-field-cooled （ZFC） and field-cooled （FC） magnetization measurement reveals that the magnetic phase of the film samples evolve from a high-temperature ferromagnetic state to a low-temperature spin-glass-like state, which is also demonstrated by the temperature-dependent ac susceptibility of the iron films. The temperature dependence of the exchange bias field He of the iron film exhibits a minimum peak around the temperature T=5 K, which is independent of the magnitude of the cooling field Hcf. However, for T 〉 10K, （1） He is always negative when Hcf=2kOe and （2） for Hcf= 20 kOe （1Oe≈80 A/m）, He changes from negative to positive values as T increases. Our experimental results show that the anomalous hysteresis properties mainly result from the oxide surfaces of the films with spin-glass-like phase.     

Theoretical investigation of incomplete ionization of dopants in uniform and ion-implanted 4H-SiC MESFETs

The effects of incomplete ionization of nitrogen in 4H-SiC have been investigated. Poisson's equation is numerically analysed by considering the effects of Poole--Frenkel, and the effects of the potential on $N^+_\dd$ (the concentration of ionized donors) and $n$ (the concentration of electrons). The pinch-off voltages of the uniform and the ion-implanted channels of 4H-SiC metal-semiconductor field-effect transistors (MESFETs) and the capacitance of the gate are given at different temperatures. Both the Poole--Frenkel effect and the potential have influence on the pinch-off voltage $V_{\rm p}$ of 4H-SiC MESFETs. Although the $C$-$V$ characteristics of the ion-implanted and the uniform channel of 4H-SiC MESFETs have a clear distinction, the effects of incomplete ionization on the $C$-$V$ characteristics are not significant.