Spin polarization effect for molecule Ta2

Density functional theory （DFT） （B3p86） has been used to optimize the structure of the molecule Ta2. The result shows that the ground state of molecule Ta2 is a 7-multiple state and its electronic configuration is ^7∑u^＋, which shows the spin polarization effect for molecule Ta2 of transition metal elements for the first time. Meanwhile, spin pollution has not been found because the wavefunction of the ground state does not mix with those of higher states. So, the fact that the ground state of molecule Ta2 is a 7-multiple state indicates a spin polarization effect of molecule Ta2 of the transition metal elements, i.e. there exist 6 parallel spin electrons and the non-conjugated electrons are greatest in number. These electrons occupy different space orbitals so that the energy of molecule Ta2 is minimized. It can be concluded that the effect of parallel spin of the molecule Ta2 is larger than the effect of the conjugated molecule, which is obviously related to the effect of d-electron delocalization. In addition, the Murrell-Sorbie potential functions with parameters for the ground state ^7∑u^＋ and other states of the molecule Ta2 are derived. The dissociation energy De, equilibrium bond length Re and vibration frequency we for the ground state of molecule Ta2 are 4.5513eV, 0.2433nm and 173.06cm^-1, respectively. Its force constants f2, f3 and f4 are 1.5965×10^2aJ.nm^-2, -6.4722×10^3aJ·nm^-3 and 29.4851×10^4aJ·nm^-4, respectively. Other spectroscopic data we xe, Be and αe for the ground state of Ta2 are 0.2078cm^-1, 0.0315 cm^-1 and 0.7858×10^-4 cm^-1, respectively.     

Spin polarization effect for Co2 molecule

The density functional theory (DFT)(b3p86) of Gaussian 03 has been used to optimize the structure of the Co$_{2}$ molecule, a transition metal element molecule. The result shows that the ground state for the Co$_{2}$ molecule is a 7-multiple state, indicating a spin polarization effect in the Co$_{2}$ molecule. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state is not mingled with wavefunctions of higher-energy states. So for the ground state of Co$_{2}$ molecule to be a 7-multiple state is the indicative of spin polarization effect of the Co$_{2}$ molecule, that is, there exist 6 parallel spin electrons in a Co$_{2}$ molecule. The number of non-conjugated electrons is the greatest. These electrons occupy different spacial orbitals so that the energy of the Co$_{2}$ molecule is minimized. It can be concluded that the effect of parallel spin in the Co$_{2}$ 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 the other states of the Co$_{2}$ molecule are derived. The dissociation energy $De$ for the ground state of Co$_{2}$ molecule is 4.0489eV, equilibrium bond length $R_{\rm e}$ is 0.2061~nm, and vibration frequency $\omega _\e $ is 378.13~cm$^{ - 1}$. Its diatomic molecule force constants $f_2$, $f_3$, and $f_4$ are 2.4824~aJ$\cdot$nm$^{ - 2}$, -7.3451~aJ$\cdot$nm$^{ - 3}$, and 11.2222~aJ$\cdot$nm$^{ - 4 }$respectively(1~aJ=$10^{-18}$~J). The other spectroscopic data for the ground state of Co$_{2}$ molecule $\omega_{\e}\chi _{\e}$, $B_{\e}$, and $\alpha_{\e}$ are 0.7202~cm$^{-1}$, 0.1347~cm$^{-1 }$, and 2.9120$\times $ 10$^{-1}$~cm$^{-1}$ respectively. And $\omega_{\e}\chi _{\e}$ is the non-syntonic part of frequency, $B_{\e}$ is the rotational constant, $\alpha_{\e}$ is revised constant of rotational constant for non-rigid part of Co$_2$ molecule.     

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.     

Judd-Oflet analysis of spectrum and laser performance of Ho：YAP crystal end-pumped by 1.91μm Tm：YLF laser

The Ho:YAP crystal is grown by the Czochralski technique.The room temperature polarized absorption spectra of Ho:YAP crystal was measured on a c cut sample with 1 at% holmium.According to the obtained Judd-Ofelt intensity parameters Ω2 = 1.42 × 10-20 cm2,Ω4 = 2.92 × 10-20 cm2,and Ω6 = 1.71 × 10-20 cm2,this paper calculated the fluorescence lifetime to be 6 ms for 5I7 →5 I8 transition,and the integrated emission cross section to be 2.24×10-18 cm2.It investigates the room temperature Ho:YAP laser end pumped by a 1.91 μm Tm:YLF laser.The maximum output power was 4.1 W when the incident 1.91 μm pump power was 14.4 W.The slope efficiency is 40.8%,corresponding to an optical to optical conversion efficiency of 28.4%.The Ho:YAP output wavelength was centred at 2118 nm with full width at half maximum of about 0.8 nm.     

The splitting of low-lying states for hydroxyl molecule under spin--orbit coupling

The splitting of potential energy curves for the states $X^{2}\Pi _{3/2}$, $^{2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ +}$ of hydroxyl OH under spin--orbit coupling (SOC) has been calculated by using the SO multi-configuration quasi-degenerate perturbation theory (SO-MCQDPT). Their Murrell--Sorbie (M--S) potential functions have been derived, then, the spectroscopic constants for $X^{2}\Pi _{3/2}$,$^{ 2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ + }$ have been derived from the M--S function. The calculated dissociation energies for the three states are $D_{0}$[OH($X^{2}\Pi _{3/2})$]=34966.632cm$^{-1}$, $D_{0}$[OH($^{2}\Pi _{1/2})$]=34922.802cm$^{-1}$, and $D_{0}$[OH($A^{2}\Sigma ^{ + })$]=17469.794cm$^{-1}$, respectively. The vertical excitation energy $\nu [ {{ }^2\Pi _{1/2} ( {\nu = 0} ) \to {X}{ }^2\Pi _{3/2} ( {\nu = 0} )} ] = 139.6{\rm cm}^{-{\rm 1}}$. All the spectroscopic data for the $X^{2}\Pi _{3/2}$ and $^{2}\Pi _{1/2 }$ are given for the first time except the dissociation energy of $X^{2}\Pi _{3/2}$.     

Theoretical study on the transition properties of AlF

Potential energy curves of the X$^{1}\Sigma ^{+}$ and A$^{1}\Pi $ states of the AlF molecule are studied through the combination of the multi-reference configuration interaction (MRCI) approach and Davidson corrections (MRCI$+$Q). The AWCV5Z basis set is employed in the calculations. The transition dipole moments (TDMs) of the A$^{1}\Pi \leftrightarrow {\rm X}^{1}\Sigma^{+}$ transition are explored based on the AWCV5Z basis set and (4, 2, 2, 0) active space. The Schrödinger equation is solved via the LEVEL 8.2 program, and the vibrational levels and rotational constants of the X$^{1}\Sigma^{+}$ and A$^{1}\Pi $ states are calculated. It is shown that the AlF molecule has high diagonal Franck-Condon factors ($f_{00}=0.9949$ and $f_{11}=0.9854$) and large Einstein coefficients for the transition of A$^{1}\Pi {(\nu }'=0)\leftrightarrow {\rm X}^{1}\Sigma^{+}{\rm (\nu }'=0)$. In addition, the radiative lifetimes of the vibrational levels are close to 10$^{-9}$ s for the A$^{1}\Pi $ state. The line intensities of the A$^{1}\Pi {\rm (\nu }'=4-15)\leftrightarrow {\rm X}^{1}\Sigma^{+}{\rm (\nu }'=0)$ transitions are also calculated. The calculated TDMs and transition probabilities in this work are credible and provide some guidance for the study of similar transitions, particularly for exploring interstellar space.     

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.     

Ab initio calculations on the α^3∑u^＋ state properties of dimer ^7Li2

The comparison between single-point energy scanning （SPES） and geometry optimization （OPT） in determining the equilibrium geometry of the α^3∑u^＋ state for ^7Li2 is made at numerous basis sets such as 6-311＋＋G（2df）, cc-PVTZ, 6-311＋＋G（2df, p）, 6-311G（3df,3pd）, 6-311＋＋G（2df,2pd）, D95（3df,3pd）, 6-311＋＋G, DGDZVP, 6-311＋＋G（3df,2pd）, 6-311G（2df,2pd）, D95V＋＋, CEP-121G, 6-311＋＋G（d,p）, 6-311＋＋G（2df, pd） and 6-311＋＋G（3df,3pd） in full active space using a symmetry-adapted-cluster/ symmetry-adapted-cluster configuration-interaction （SAC/SAC=CI） method presented in Gaussian03 program package. The difference of the equilibrium geometries obtained by SPES and by OPT is reported. Analyses show that the results obtained by SPES are more reasonable than those obtained by OPT. We have calculated the complete potential energy curves at those sets over a wide internuclear distance range from about 3.0α0 to 37.0α0, and the conclusion is that the basis set cc-PVTZ is the most suitable one. With the potential obtained at ccopVTZ, the spectroscopic data （Te, De, D0, ωe,ωeХe, αe and Be） are computed and they are 1.006 eV, 338.71 cm^-1, 307.12 cm^-1, 64.88 cm^-1, 3.41 cm^-1, 0.0187 cm^-1 and 0.279 cm^-1, respectively, which are in good agreement with recent measurements. The total 11 vibrational states are found at J=0. Their corresponding vibrational levels and classical turning points are computed and compared with available RKR data, and good agreement is found. One inertial rotation constant （By） and six centrifugal distortion constants （Dr Hv, Lv, My, Nv, and Ov） are calculated. The scattering length is calculated to be -27.138α0, which is in good accord with the experimental data.     

Enhancement of spin-orbit torque efficiency by tailoring interfacial spin-orbit coupling in Pt-based magnetic multilayers

We study inserting Co layer thickness-dependent spin transport and spin-orbit torques (SOTs) in the Pt/Co/Py trilayers by spin-torque ferromagnetic resonance. The interfacial perpendicular magnetic anisotropy (IPMA) energy density ($K_{\rm s}= 2.7 $ erg/cm$^{2}$, 1 erg = 10$^{-7}$ J), which is dominated by interfacial spin-orbit coupling (ISOC) in the Pt/Co interface, total effective spin-mixing conductance $(G_{\mathrm{eff,tot}}^{\mathrm{\uparrow \downarrow }}=\mathrm{0.42\times }{10}^{15} \mathrm{\Omega }^{-1}\cdot\mathrm{m}^{-2}$) and two-magnon scattering ($\beta_{\mathrm{TMS}}= 0.46 {\mathrm{nm}}^{2}$) are first characterized, and the damping-like torque ($\xi_{\mathrm{DL}}= 0.103$) and field-like torque ($\xi _{\mathrm{FL}}=-0.017$) efficiencies are also calculated quantitatively by varying the thickness of the inserting Co layer. The significant enhancement of $\xi_{\mathrm{DL}}$ and $\xi_{\mathrm{FL}}$ in Pt/Co/Py than Pt/Py bilayer system originates from the interfacial Rashba-Edelstein effect due to the strong ISOC between Co-3d and Pt-5d orbitals at the Pt/Co interface. Additionally, we find a considerable out-of-plane spin polarization SOT, which is ascribed to the spin anomalous Hall effect and possible spin precession effect due to IPMA-induced perpendicular magnetization at the Pt/Co interface. Our results demonstrate that the ISOC of the Pt/Co interface plays a vital role in spin transport and SOTs-generation. Our finds offer an alternative approach to improve the conventional SOTs efficiencies and generate unconventional SOTs with out-of-plane spin polarization to develop low power Pt-based spintronic via tailoring the Pt/FM interface.     

Judd--Ofelt analysis of spectra and experimental evaluation of laser performance of Tm3+ doped Lu2SiO5 crystal

This paper reports that the Tm^3＋：Lu2SiO5 （Tm：LSO） crystal is grown by Czochralski technique. The roomtemperature absorption spectra of Tm：LSO crystal are measured on a b-cut sample with 4 at.% thulium. According to the obtained Judd-Ofelt intensity parameters Ω2=9.3155×10^-20 cm^2, Ω4=8.4103×10^-20 cm^2, Ω6=1.5908×10^-20 cm^2, the fluorescence lifetime is calculated to be 2.03 ms for ^3F4 → ^3H6 transition, and the integrated emission cross section is 5.81×10^-18 cm^2. Room-temperature laser action near 2μm under diode pumping is experimentally evaluated in Tm：LSO. An optical-optical conversion efficiency of 9.1% and a slope efficiency of 16.2% are obtained with continuouswave maximum output power of 0.67 W. The emission wavelengths of Tm：LSO laser are centred around 2.06μm with spectral bandwidth of -13.6 nm.     

Isotopic effect of Cl2+ rovibronic spectra in the A-X system

This paper studies the isotopic effect of Cl2+ rovibronic spectra in the A2Πu(Ω=1/2) X 2Πg(Ω= 1/2) system.Based on the experimental results of the molecular constants of 35 Cl2+,it calculates the vibrational isotope shifts of the(2,7) and(3,7) band between the isotopic species 35 Cl+2,35 Cl 37 Cl+and 37 Cl2+,and estimates the rotational constants of both A 2 Π u and X 2 Π g states for the minor isotopic species 35 Cl 37 Cl+and 37 Cl2+.The experimental results of the spectrum of 35 Cl 37 Cl+(3,7) band proves the above mentioned theoretical calculation.The molecular constants and thus resultant rovibronic spectrum for 37 Cl2+ were predicted,which will be helpful for further experimental investigation.     

Relativistic calculations on the transition electric dipole moments and radiative lifetimes of the spin-forbidden transitions in the antimony hydride molecule

Calculations on the spectroscopic constants and transition properties of the first three states (${\rm a}^{1}\Delta $, ${\rm b}^{1}\Sigma^{+}$, and X$^{3}\Sigma^-$) of the SbH molecule were performed under the relativistic framework using the exact two-component Hamiltonian (X2C). The potential energy curves in the Franck-Condon region were computed and compared with the previous values. Furthermore, the transition dipole moments for the weak spin-forbidden transitions (${\rm b}0^{+}$-X$_{1}0^{+}$, ${\rm b}0^{+}$-X$_{2}$1, X$_{1}0^{+}$-X$_{2}$1, and X$_{2}$1-${\rm a}$2) were reported. The spontaneous radiative lifetime of the ${\rm b}^{1}\Sigma^{+}$ ($\upsilon '=0$) state was calculated as 163.5 $\pm$ 7.5 μs, which is in reasonable agreement with the latest experimental value of 173 $\pm$ 3 μs. The spontaneous radiative lifetimes of the X$_{2}$1 ($\upsilon '=0$) state and the ${\rm a}$2 ($\upsilon '=0$) state were calculated to be 48.6 s and $\sim 8 $ ms, respectively. Our study is expected to be a benchmark transition property computation for comparison with other theoretical and experimental results. The datasets presented in this paper, including the transition dipole moments, are openly available at https://dx.doi.org/10.11922/sciencedb.j00113.00018.     

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.     

Enhanced interface properties of diamond MOSFETs with Al_2O_3 gate dielectric deposited via ALD at a high temperature

The interface state of hydrogen-terminated(C–H) diamond metal–oxide–semiconductor field-effect transistor(MOSFET) is critical for device performance. In this paper, we investigate the fixed charges and interface trap states in C–H diamond MOSFETs by using different gate dielectric processes. The devices use Al_2O_3 as gate dielectrics that are deposited via atomic layer deposition(ALD) at 80℃ and 300℃, respectively, and their C–V and I–V characteristics are comparatively investigated. Mott–Schottky plots(1/C~2–VG) suggest that positive and negative fixed charges with low density of about 1011 cm~(-2) are located in the 80-℃-and 300-℃ deposition Al_2O_3 films, respectively. The analyses of direct current(DC)/pulsed I–V and frequency-dependent conductance show that the shallow interface traps(0.46 e V–0.52 e V and0.53 e V–0.56 e V above the valence band of diamond for the 80-℃ and 300-℃ deposition conditions, respectively) with distinct density(7.8 × 10~(13) e V~(-1)·cm~(-2)–8.5 × 10~(13) e V-1·cm~(-2) and 2.2 × 1013 e V~(-1)·cm~(-2)–5.1 × 10~(13) e V~(-1)·cm~(-2) for the80-℃-and 300-℃-deposition conditions, respectively) are present at the Al_2O_3/C–H diamond interface. Dynamic pulsed I–V and capacitance dispersion results indicate that the ALD Al_2O_3 technique with 300-℃ deposition temperature has higher stability for C–H diamond MOSFETs.     

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.     

Potential energy curves and analytical potential energy functions of the metastable states of B2^＋＋

The multi-reference configuration interaction method and aug-cc-pvqz （AVQZ） have been used to calculate potential energy curves （PECs） of the singlet and triplet states of the riu and rig symmetry of B2＋＋. All of the four states （^l∏u, ^1∏g, ^3∏u and ^3∏g） are found to be metastable states, though the potential well of ^3∏u symmetry is very shallow. Based on the PECs, the analytical potential energy functions （APEFs） of these states have been fitted using the least square fitting method and two models of function. The spectroscopic parameters of each state are also calculated, and are compared with other investigations in the literature. The credibility and veracity of the two functions are evaluated. Some ideas to improve the fitting accuracy are presented. Also the vibrational levels for each state are predicted by solving the SchrSdinger equation of nuclear motion.     

Multireference configuration interaction potential curve and analytical potential energy function of the ground and low-lying excited states of CdSe

The potential energy curves (PECs) of the ground state ($^{3}\Pi )$ and three low-lying excited states ($^{1}\Sigma $, $^{3}\Sigma $,$^{ 1}\Pi )$ of CdSe dimer have been studied by employing quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel--Sorbie potential function. Based on the PECs, the vibrational levels of the four states are determined by solving the Schr\"{o}dinger equation of nuclear motion, and corresponding spectroscopic constants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the $^{3}\Pi $ state, of which the dissociation asymptote is Cd($^{1}$S) + Se($^{3}$P), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39\,eV. However, the first excited state is only 1132.49\,cm$^{ - 1}$ above the ground state and the $^{3}\Sigma $ state is the highest in the four calculated states.     

Characteristics of temperature fluctuation in two-dimensional turbulent Rayleigh-Bénard convection

We study the characteristics of temperature fluctuation in two-dimensional turbulent Rayleigh–Benard convection in′a square cavity by direct numerical simulations.The Rayleigh number range is 1×10⁸≤Ra≤1×10¹³,and the Prandtl number is selected as Pr=0.7 and Pr=4.3.It is found that the temperature fluctuation profiles with respect to Ra exhibit two different distribution patterns.In the thermal boundary layer,the normalized fluctuationθrms/θrms,max is independent of Ra and a power law relation is identified,i.e.,θrms/θrms,max～(z/δ)0.99±0.01,where z/δis a dimensionless distance to the boundary(δis the thickness of thermal boundary layer).Out of the boundary layer,when Ra≤5×10⁹,the profiles ofθrms/θrms,max descend,then ascend,and finally drop dramatically as z/δincreases.While for Ra≥1×10¹⁰,the profiles continuously decrease and finally overlap with each other.The two different characteristics of temperature fluctuations are closely related to the formation of stable large-scale circulations and corner rolls.Besides,there is a critical value of Ra indicating the transition,beyond which the fluctuation hθrmsiV has a power law dependence on Ra,given by hθrmsiV～Ra?0.14±0.01.     

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.     

Lifetime vibrational interference during the NO 1s-1π* resonant excitation studied by the NO+(A 1Π → X 1Σ+) fluorescence

Dispersed fluorescence from fragments formed after the de-excitation of the 1s^-1π^* resonances of N^*O and NO^* has been measured in the spectral range of 118–142 nm. This range is dominated by lines of atomic nitrogen and oxygen fragments and by the bands in the NO⁺ ion which result from the participator Auger decay of the 1s^-1π^* resonances. Ab-initio calculations of the transition probabilities between vibrational levels during the reaction NO N^*O ⇒ NO were used to explain the observed intensity dependence for the fluorescence bands on the exciting-photon energy across the resonances and on both v^′ and v^′′ vibrational quantum numbers. The multiplet structure of the 1s^-1π^* resonance and lifetime vibrational interference explain the observed exciting-photon energy dependence of the fluorescence intensity. A strong spin-orbit coupling between singlet and triplet states of NO⁺ is proposed to reduce additional cascade population of the state via radiative transitions from the and states and to explain remaining differences between measured and calculated integral fluorescence intensities.