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.     

Ohmic contacts of 4H-SiC on ion-implantation layers

The ohmic contacts of 4H-SiC are fabricated on nitrogen ion implanted layers made by performing box-like-profile implantation three and four times. Implantation parameters such as the standard deviation σ and the projection range R_p are calculated by the Monte Carlo simulator TRIM. Ni/Cr ohmic contacts on Si-face 4H-SiC implantation layers are measured by transfer length methods (TLMs). The results show that the values of sheet resistance R_sh are 30~kΩ /□ and 4.9~kΩ/□ and the values of specific contact resistance ρ_c of ohmic contacts are 7.1× 10^-4Ω.cm² and 9.5× 10^-5Ω.cm² for the implanted layers with implantation performed three and four times respectively.     

Parameter extraction for a Ti/4H-SiC Schottky diode

Based on the MIS model, a simple method to extract parameters of SiC Schottky diodes is presented using the $I$-$V$ characteristics. The interface oxide capacitance $C_\i$ is extracted for the first time, as far as we know. Parameters of 4H-SiC Schottky diodes fabricated for testing in this paper are: the ideality factor $n$, the series resistance $R_{\rm s}$, the zero-field barrier height $\phi_{\rm B0}$, the interface state density $D_{\rm it}$, the interface oxide capacitance $C_\i$ and the neutral level of interface states $\phi_0$.     

Investigations on spectroscopic parameters, vibrational levels, classical turning points and inertial rotation and centrifugal distortion constants for the X1∑+g state of sodium dimer

The density functional theory (B3LYP, B3P86) and the quadratic configuration-interaction method including single and double substitutions (QCISD(T), QCISD) presented in Gaussian03 program package are employed to calculate the equilibrium internuclear distance $R_{\rm e}$, the dissociation energy $D_{\rm e }$ and the harmonic frequency $\omega _{\rm e}$ for the $X{}^{1}\Sigma^{ + }_{\rm g}$ state of sodium dimer in a number of basis sets. The conclusion is gained that the best $R_{\rm e}$, $D_{\rm e}$ and $\omega _{\rm e}$ results can be attained at the QCISD/6-311G(3df,3pd) level of theory. The potential energy curve at this level of theory for this state is obtained over a wide internuclear separation range from 0.16 to 2.0~nm and is fitted to the analytic Murrell--Sorbie function. The spectroscopic parameters $D_{\rm e}$, $D_{0}$, $R_{\rm e}$, $\omega _{\rm e}$, $\omega _{\rm e}\chi _{\rm e}$, $\alpha _{\rm e}$ and $B_{\rm e}$ are calculated to be 0.7219~eV, 0.7135~eV, 0.31813~nm, 151.63~cm$^{ - 1}$, 0.7288~cm$^{ - 1}$, 0.000729~cm$^{ - 1}$ and 0.1449~cm$^{ - 1}$, respectively, which are in good agreement with the measurements. With the potential obtained at the QCISD/6-311G(3df,3pd) level of theory, a total of 63 vibrational states is found when $J=0$ by solving the radial Schr\"{o}dinger equation of nuclear motion. The vibrational level, corresponding classical turning point and inertial rotation constant are computed for each vibrational state. The centrifugal distortion constants ($D_{\upsilon }\, H_{\upsilon }$, $L_{\upsilon }$, $M_{\upsilon }$, $N_{\upsilon }$ and $O_{\upsilon })$ are reported for the first time for the first 31 vibrational states when $J=0$.     

Characteristics and parameter extraction for NiGe/n-type Ge Schottky diode with variable annealing temperatures

Current transport mechanism in Ni-germanide/n-type Ge Schottky diodes is investigated using current--voltage characterisation technique with annealing temperatures from 300~\duto 500~\du. Based on the current transport model, a simple method to extract parameters of the NiGe/Ge diode is presented by using the $I$--$V$ characteristics. Parameters of NiGe/n-type Ge Schottky diodes fabricated for testing in this paper are as follows: the ideality factor $n$, the series resistance $R_{\rm s}$, the zero-field barrier height $\phi _{\rm b0}$, the interface state density $D_{\rm it}$, and the interfacial layer capacitance $C_{\rm i}$. It is found that the ideality factor $n$ of the diode increases with the increase of annealing temperature. As the temperature increases, the interface defects from the sputtering damage and the penetration of metallic states into the Ge energy gap are passivated, thus improving the junction quality. However, the undesirable crystallisations of Ni-germanide are observed together with NiGe at a temperature higher than 400~\du. Depositing a very thin ($\sim $1~nm) heavily Ge-doped $n^{+}$ Ge intermediate layer can improve the NiGe film morphology significantly.     

The fabrication of nickel silicide ohmic contacts to n-type 6H-silicon carbide

This paper reports that the nickel silicide ohmic contacts to n-type 6H-SiC have been fabricated. Transfer length method test patterns with NiSi/SiC and NiSi硅化镍;欧姆触点;n型碳化硅;制造;能带;带隙Project supported by the National Basic Research Program of China (Grant No~2002CB311904), the National Defense Basic Research Program of China (Grant No~51327010101) and the National Natural Science Foundation of China (Grant No~60376001).2006-09-192006-10-30This paper reports that the nickel silicide ohmic contacts to n-type 6H-SiC have been fabricated. Transfer length method test patterns with NiSi/SiC and NiSi2/SiC structure axe formed on N-wells created by N^＋ ion implantation into Si-faced p-type 6H-SiC epilayer respectively. NiSi and NiSi2 films are prepared by annealing the Ni and Si films separately deposited. A two-step annealing technology is performed for decreasing of oxidation problems occurred during high temperature processes. The specific contact resistance Pc of NiSi contact to n-type 6H-SiC as low as 1.78× 10^-6Ωcm^2 is achieved after a two-step annealing at 350 ℃for 20 min and 950℃ for 3 min in N2. And 3.84×10-6Ωcm^2 for NiSi2 contact is achieved. The result for sheet resistance Rsh of the N＋ implanted layers is about 1210Ω/□. X-ray diffraction analysis shows the formation of nickel silicide phases at the metal/n-SiC interface after thermal annealing. The surfaces of the nickel silicide after thermal annealing are analysed by scanning electron microscope.     

Study on spectroscopic parameters and molecular constants of HCl(X~1Σ~+) molecule by using multireference configuration interaction approach

Equilibrium internuclear separations, harmonic frequencies and potential energy curves (PECs) of HCl($X^{1}\Sigma ^{ + })$ molecule are investigated by using the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach in combination with a series of correlation-consistent basis sets in the valence range. The PECs are all fitted to the Murrell--Sorbie function, and they are used to accurately derive the spectroscopic parameters ($D_{\rm e}$, $D_{0}$, $\omega_{\rm e}\chi_{\rm e}$, $\alpha_{\rm e}$ and $B_{\rm e})$. Compared with the available measurements, the PEC obtained at the basis set, aug-cc-pV5Z, is selected to investigate the vibrational manifolds. The constants $D_{0}$, $D_{\rm e}$, $R_{\rm e}$, $\omega_{\rm e}$, $\omega_{\rm e}\chi_{\rm e}$, $\alpha_{\rm e}$ and $B_{\rm e}$ at this basis set are 4.4006~eV, 4.5845~eV, 0.12757~nm, 2993.33~cm$^{ - 1}$, 52.6273~cm$^{ - 1}$, 0.2981~cm$^{ - 1}$ and 10.5841~cm$^{ - 1}$, respectively, which almost perfectly conform to the available experimental results. With the potential determined at the MRCI/aug-cc-pV5Z level of theory, by numerically solving the radial Schr\"{o}dinger equation of nuclear motion in the adiabatic approximation, a total of 21 vibrational levels are predicted. Complete vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants are reproduced, which are in excellent agreement with the available Rydberg--Klein--Rees data. Most of these theoretical vibrational manifolds are reported for the first time to the best of our knowledge.     

Co-Al-W基高温合金的团簇成分式

Co-Al-W基高温合金具有类似于Ni基高温合金的γ+γ'相组织结构.根据面心立方固溶体的团簇加连接原子结构模型,Ni基高温合金的成分式即最稳定的化学近程序结构单元可以描述为第一近邻配位多面体团簇加上次近邻的三个连接原子.本文应用类似方法,首次给出了Co-Al-W基高温合金的团簇成分式.利用原子半径和团簇共振模型,可计算出Co-Al-W三元合金的团簇成分通式,为[Al-Co_(12)](Co,Al,W)_3,即以Al为中心原子、Co为壳层原子的[Al-Co_(12)]团簇加上三个连接原子.对于多元合金,需要先将元素进行分类:溶剂元素——类Co元素Co (Co, Cr, Fe, Re, Ni,Ir,Ru)和溶质元素——类Al元素Al (Al,W,Mo, Ta,Ti,Nb,V等);进而根据合金元素的配分行为,将类Co元素分为Co~γ(Cr, Fe, Re)和Co~(γ')(Ni, Ir, Ru);根据混合焓,将类Al元素分为Al, W (W, Mo)和Ta (Ta, Ti, Nb, V等).由此,任何多元Co-Al-W基高温合金均可简化为Co-Al伪二元体系或者Co-Al-(W,Ta)伪三元体系,其团簇加连接原子成分式为[Al-Co_(12)](Co_(1.0)Al_(2.0))(或[Al-Co_(12)] Co_(1.0)Al_(0.5)(W,Ta)_(1.5)=Co_(81.250)Al_(9.375)(W,Ta)_(9.375) at.%).其中,γ与γ'相的团簇成分式分别为[Al-Co_(12)](Co_(1.5)Al_(1.5))(或[Al-Co_(12)] Co_(1.5)Al_(0.5)(W,Ta)_(1.0)=Co_(84.375)Al_(9.375)(W,Ta)_(6.250) at.%)和[Al-Co_(12)](Co_(0.5)Al_(2.5))(或[Al-Co_(12)] Co_(0.5)Al_(0.5)(W, Ta)_(2.0)=Co_(78.125)Al_(9.375)(W,Ta)_(12.500)at.%).例如,Co_(82)Al_9W_9合金的团簇成分式为[Al-Co_(12)]Co_(1.1)Al_(0.4)W_(1.4)(～[Al-Co_(12)]Co_(1.0)Al_(0.5)W_(1.5)),其中γ相的团簇成分式为[Al-Co_(12)]Co_(1.6)Al_(0.4)W_(1.0)(～[Al-Co_(12)]Co_(1.5)Al_(0.5)W_(1.0)),γ'相的团簇成分式为[Al-Co_(12)]Co_(0.3)Al_(0.5)W_(2.2)(～[AlCo_(12)]Co_(0.5)Al_(0.5)W_(2.0)).     

Elastic collisions between Si and D atoms at low temperatures and accurate analytic potential energy function and molecular constants of the SiD（χ^2П） radical

Interaction potential of the SiD(X2Π) radical is constructed by using the CCSD(T) theory in combination with the largest correlation-consistent quintuple basis set augmented with the diffuse functions in the valence range. Using the interaction potential, the spectroscopic parameters are accurately determined. The present D0, De, Re, ωe, αe and Be values are of 3.0956 eV, 3.1863 eV, 0.15223 nm, 1472.894 cm-1, 0.07799 cm-1 and 3.8717 cm-1, respectively, which are in excellent agreement with the measurements. A total of 26 vibrational states is predicted when J=0 by solving the radial Schro¨dinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J=0 are reported for the first time, which are in good accord with the available experiments. The total and various partial-wave cross sections are calculated for the elastic collisions between Si and D atoms in their ground states at 1.0×10-11–1.0×10-3 a.u. when the two atoms approach each other along the SiD(X2Π) potential energy curve. Four shape resonances are found in the total elastic cross sections, and their resonant energies are of 1.73×10-5, 4.0×10-5, 6.45×10-5 and 5.5×10-4 a.u., respectively. Each shape resonance in the total elastic cross sections is carefully investigated. The results show that the shape of the total elastic cross sections is mainly dominated by the s partial wave at very low temperatures. Because of the weakness of the shape resonances coming from the higher partial waves, most of them are passed into oblivion by the strong s partial-wave elastic cross sections.     

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.     

Novel material for nonvolatile ovonic unified memory (OUM)－Ag11In12Te26Sb51 phase change semiconductor

In this paper, Ag_{11}In_{12}Te_{26}Sb_{51} phase change semiconductor films have been prepared by dc sputtering. The crystallization behaviour of amorphous Ag_{11}In_{12}Te_{26}Sb_{51} thin films was investigated by using differential scanning calorimetry and x-ray diffraction. It was found that the crystallization temperature is about 483K and the melting temperature is 754.8K and the activation energy for crystallization, E_a, is 2.07eV. The crystalline Ag_{11}In_{12}Te_{26}Sb_{51} films were obtained using initializer. The initialization conditions have a great effect on the sheet resistance of Ag_{11}In_{12}Te_{26}Sb_{51} films. We found that the effect of the initialization condition on the sheet resistance can be ascribed to the crystallinity of Ag_{11}In_{12}Te_{26}Sb_{51} films. The sheet resistance of the amorphous (R_{amo}) film is found to be larger than 1×10^6Ω and that of the crystalline (R_{cry}) film lies in the range from about 10^3 to 10^4Ω. So we have the ratio R_{amo}/R_{cry}=10^2～10^3, which is sufficiently large for application in memory devices.     

Ti/4H-SiC肖特基势垒二极管抗辐射特性的研究

本文采用γ射线、高能电子和中子对Ti/4H-SiC肖特基势垒二极管(SBD)的抗辐射特性进行了研究.研究发现对于γ射线和1 MeV电子辐照,-30 V辐照偏压对器件的辐照效应没有明显的影响.经过1 Mrad(Si)的γ射线或者1×l0¹³ n/cm²的中子辐照后,Ti/4H-SiC肖特基接触都没有明显退化;经过3.43×10¹⁴ e/cm²的1 MeV电子辐照后Ti/4H-SiC的势垒高度比辐照前轻微下降,这是由于高能 关键词： 碳化硅 肖特基 辐照 偏压     

Two-electron and one-photon transitions in highly charged nickel-like ions

This paper calculates the transition wavelengths and probabilities of the two-electron and one-photon (TEOP) transition from the $(3{\rm s}^{-1}_{1/2}4{\rm d}_{j})_{J=1,2}$ to $(3{\rm p}^{-1}_{3/2}4{\rm s}_{1/2})_{J=1}$ and the $(3{\rm p}^{-1}_{1/2}4{\rm s}_{1/2})_{J=1}$ to $(3{\rm d}^{-1}_{j}4{\rm d}_{j'})_{J=1,2}$ for highly charged Ni-like ions with atomic number $Z$ in the range $47\leq Z\leq92$. In the calculations, the multi-configuration Dirac--Fock method and corresponding program packages GRASP92 and REOS99 were used, and the relativistic effects, correlation effects and relaxation effects were considered systematically. It is found that the TEOP transitions are very sensitive to the correlation of electrons, and the probabilities will be enhanced sharply in some special $Z$ regions along the isoelectronic sequence. The present TEOP transition wavelengths are compared with the available data from some previous publications, good agreement is obtained.     

Observation of four-wave mixing in caesium atoms using a noncycling transition

In this paper the generation of four-wave mixing (FWM) signal using a noncycling transition of caesium atoms is investigated when the pumping laser is locked to the transition $6{\rm S}_{1/2}F=4\to6{\rm P}_{3/2}F'=4$, and meanwhile the probe frequency is scanned across the $6{\rm S}_{1/2}F=4 \to6{\rm P}_{3/2}$ transition. The efficiency of the four-wave mixing signal as a function of the intensity of the pumping beams and the detuning of the pumping beams is also studied. In order to increase the detection efficiency, a repumping laser which is resonant with $6{\rm S}_{1/2} F=3\to 6{\rm P}_{3/2}F'=4$ transition is used. A theoretical model is also introduced, and the theoretical results are in qualitative agreement with experimental ones.     

The influence of collision energy on magnetically tuned 6Li-6Li Feshbach resonance

The effect of collision energy on the magnetically tuned $^{6}$Li-$^{6}$Li Feshbach resonance (FR) is investigated theoretically by using the coupled-channel (CC) method for the collision energy ranging from 1 μ$ {\rm K} \cdot {k}_{\rm B}$ to 100 μ$ {\rm K} \cdot {k}_{\rm B}$. At the collision energy of 1 μ$ {\rm K} \cdot {k}_{\rm B}$, the resonance positions calculated are 543.152 Gs (s wave, the unit $1 {\rm Gs}=10^{-4} {\rm T}$), 185.109 Gs (p wave $|m_{l}| = 0$), and 185.113 Gs (p wave $|m_{l}| = 1$), respectively. The p-wave FR near 185 Gs exibits a doublet structure of 4 mGs, associated with dipole-dipole interaction. With the increase of the collision energy, it is found that the splitting width remains the same (4 mGs), and that the resonance positions of s and p waves are shifted to higher magnetic fields with the increase of collision energy. The variations of the other quantities including the resonance width and the amplitude of the total scattering section are also discussed in detail. The thermally averaged elastic rate coefficients at $T=10$, 15, 20, 25 K are calculated and compared.     

Characterization of ion-implanted 4H-SiC Schottky barrier diodes

Ion-implantation layers are fabricated by multiple nitrogen ion-implantations (3 times for sample A and 4 times for sample B) into a p-type 4H-SiC epitaxial layer. The implantation depth profiles are calculated by using the Monte Carlo simulator TRIM. The fabrication process and the I--V and C--V characteristics of the lateral Ti/4H-SiC Schottky barrier diodes (SBDs) fabricated on these multiple box-like ion-implantation layers are presented in detail. Measurements of the reverse I--V characteristics demonstrate a low reverse current, which is good enough for many SiC-based devices such as SiC metal--semiconductor field-effect transistors (MESFETs), and SiC static induction transistors (SITs). The parameters of the diodes are extracted from the forward I--V and C--V characteristics. The values of ideality factor n of SBDs for samples A and B are 3.0 and 3.5 respectively, and the values of series resistance R_\rm s are 11.9 and 1.0~kΩ respectively. The values of barrier height φ _\rm B of Ti/4H-SiC are 0.95 and 0.72 eV obtained by the I--V method and 1.14 and 0.93 eV obtained by the C--V method for samples A and B respectively. The activation rates for the implanted nitrogen ions of samples A and B are 2\% and 4\% respectively extracted from C--V testing results.     

The upper bound on the tensor-to-scalar ratio consistent with quantum gravity

We consider the polynomial inflation with the tensor-to-scalar ratio as large as possible which can be consistent with the quantum gravity(QG) corrections and effective field theory(EFT). To get a minimal field excursion Δ? for enough e-folding number N, the inflaton field traverses an extremely flat part of the scalar potential, which results in the Lyth bound to be violated. We get a CMB signal consistent with Planck data by numerically computing the equation of motion for inflaton ? and using Mukhanov–Sasaki formalism for primordial spectrum. Inflation ends at Hubble slow-roll parameter ■. Interestingly, we find an excellent practical bound on the inflaton excursion in the format ■, where a is a tiny real number and b is at the order 1. To be consistent with QG/EFT and suppress the high-dimensional operators, we show that the concrete condition on inflaton excursion is ■. For n_s= 0.9649,N_e= 55, and ■0.632 MPl, we predict that the tensor-to-scalar ratio is smaller than 0.0012 for such polynomial inflation to be consistent with QG/EFT.     

用H-W-ECR CVD系统实现氢化非晶硅薄膜在氢气环境下同时进行化学热退火和光诱导退火的研究

为了研究氢化非晶硅薄膜的稳定性，我们设计了一个在原子氢气氛中热退火的同时进行光诱导退火的实验(TLAH)。实验装置是由传统的微波电子回旋共振化学气相沉积系统改造而成为热丝辅助微波电子回旋共振化学气相沉积系统。为了对这一退火方法进行比较，对样品还进行了热退火、热退火同时进行光诱导退火。同时，为了定量地分析光电导衰退，我们假设光电导衰退遵循扩展指数规律：1/σph=1/σs-(1/σs-1/σ0)exp[-(t/τ)β]，这里扩展指数参数β 和时间常数 τ 可从与 lnt 的线性关系中截距和斜率得到, 式中光电导饱和值σs可以通过在对数坐标系中表示的光电导和光照时间关系进行高斯拟合得到。实验结果显示：TLAH 方法可以提高氢化非晶硅薄膜的稳定性、改善其微结构和光电特性，同时还发现，光学带隙明显减小、荧光光谱显著地朝着低能方向移动。     

Energy transfer probability in organic electrophosphorescence device with dopant

Based on the energy transfer process from host to dopant in an organic electrophosphorescent (EP) device, the expression of energy transfer probability ($\eta )$ between the host (TPD) and guest (Ir(ppy)$_{3})$ EP systems was proposed. The results show that: ({1}) The rate of the triplet energy transfer ($K_{\rm HG}$ and $K_{\rm GH})$ increases exponentially with increasing donor-acceptor molecular distance ($R$), whereas decreases as the intermolecular distance ($R_{\rm HH})$ increases from 0.8 to 2.4 nm. Furthermore, $K_{\rm GH}$ changes more quickly than $K_{\rm HG.}$ ({2}) The energy transfer probability ($\eta )$ increases as $R$ reduces, and the $R_{\rm HH}$ changes can be safely neglected for $R<$0.9 nm. The situation changes for 0.9nm$ < R < 1.1$nm, $R_{\rm HH }$ ($<1$nm) plays an essential role when $\eta $ changes and increases with the latter. However, if $R > 1.1$nm, the transfer probability will be below zero. Here, the energy transfer principle may be less important, and the high electroluminescence (EL) quantum efficiency of phosphorescent system will be attributed to the direct electron-hole recombination in phosphorescent molecules. ({3}) The $\eta $ will increase when the Forster radius ($R_{0})$ increases or Gibb's energy decreases.     

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.