5 research outputs found

    FORCE CONSTANTS FROM RYDBERG-KLEIN-REES POTENTIAL ENERGY CURVES.

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    Author Institution: Physics Department, Illinois Institute of TechnologyWe have calculated equilibrium force constants fe=(dF/dr)e=(d2U/dr2)e[F=force,r=f_{e} = -(dF/dr)_{e} = (d^{2}U/dr^{2})_{e} [F = force, r = internuclear separation, U = potential energy, e = equilibrium] from the Rydberg-Klein-Rees potential energy curves for 11 diatomic molecules. The results are in good agreement with the values previously calculated from fe=4π2C2ωe2μf_{e} = 4\pi^{2}C^{2}\omega_{e}^{2}\mu, which was derived from the harmonic potential energy function [c = speed of light in vacuum, cωe=c\omega_{e} = classical vibrational frequency in cycles/sec for infinitesimal amplitudes, μ=\mu = reduced mass]. This is as it should be since the force per unit displacement at rer_{e} should be the same for any valid potential energy curve. The values of fef_{e} for isotopes of these molecules were nearly the same as for the ordinary molecules. For HCI, the fef_{e} values were: 1HCl35,51.674±0.002;2HCl35,51.634±0.002;3HCl35,51.604±0.003;3HCl37,51.60±0.01^{1}H-Cl^{35}, 51.674 \pm 0.002; ^{2}H-Cl^{35}, 51.634 \pm 0.002; ^{3}H-Cl^{35}, 51.604 \pm 0.003; ^{3}H-Cl^{37}, 51.60 \pm 0.01 microdynes/picometer. If the molecule were a harmonic oscillator, the force derivative function f(r)=dF/dr=d2U/dr2f(r) = -dF/dr = d^{2}U/dr^{2} would be the same for all values of r, but for the actual molecule the values of this function vary with r. At re,f(r)=fer_{e}, f(r) = f_{e}; at Ri,f(r)=0[RiR_{i}, f(r)= 0 [R_{i} is the value of r at the inflection point i on the potential energy curve]. The average value fvf_{v} of f(r)f(r) for the vibrational state v can be taken as the effective force constant in that vibrational state. We have calculated values of fˉv\bar{f}_{v} from the R-K-R curve of H2H_{2} for several values of v. As v increases from 0 to 9, fˉv\bar{f}_{v} decreases from 57.28±0.0157.28 \pm 0.01 to 53.9±0.2μdyn/pm53.9 \pm 0.2 \mu dyn/pm. Effective force constants fˉe\bar{f}_{e} and fˉ1\bar{f}_{1} for v=0v = 0 and v=1v = 1 were calculated for the 11 molecules. In all cases, fˉe\bar{f}_{e} and fˉ2\bar{f}_{2} were larger than fσ=4π2c2σ2μf_{\sigma} = 4 \pi^{2}c^{2}\sigma^{2}\mu and smaller than fe=4π2c2ωe2μ[σ=f_{e} = 4\pi^{2}c^{2}\omega e^{2}\mu [\sigma = observed wave number in cycles/cm]. For H2H_{2}, the values are: fe=57.3967±0.0003,f0=57.28±0.01,fˉ1=56.990±0.008,fσ=51.3971±0.0003μdyn/pmf_{e} = 57.3967 \pm 0.0003, f_{0} = 57.28 \pm 0.01, \bar{f}_{1} = 56.990 \pm 0.008, f_{\sigma} = 51.3971 \pm 0.0003 \mu dyn/pm

    Stability of liquid metal Schottky contacts

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    184-187All evolutionary aspects of Schottky barriers e.g. the factors contributing to the band alignment at metal-semiconductor interfaces, are still not well understood. Liquid metal-semiconductor interfaces provide an opportunity to probe them since their formation process eliminates or minimizes many influencing factors e.g. formation of oxide layer, changes in surface morphology due to impact of deposited metal atoms etc. when compared to the formation of solid metal semiconductor interfaces. However, the liquid state of metal possessing higher equilibrium thermodynamic energy, may induce instability at interfaces by inducing interfacial reactions ultimately showing up in ageing effect. The liquid metals namely Hg and Ga on p-type silicon show no such effect and hence can be fruitfully exploited for probing evolutionary aspects of metal-semiconductor interfaces through liquid metal route
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