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- W1972589061 abstract "In the preceding paper (I in this series) the basic theory concerning the interplay of surface misfit f and atomic steps has been presented. Here we calculate the energy of formation ${E}_{F}$ per unit length of step and its dependence on orientation ensuremath{Vert}ensuremath{theta}ensuremath{Vert} relative to quadratic surface unit cell axes with cell dimension a. ${E}_{F}$ results basically from free-surface-induced perturbations of electronic states and is essentially composed of two contributions: the strain energy Ea which is a long-range effect from perturbation induced surface misfit, and the line energy ensuremath{Gamma} which is a direct localized effect estimated in terms of the free energy ensuremath{gamma} of the exposed face of the step. The energies may be naturally expressed in units of Densuremath{mu}${a}^{3}$${f}^{2}$ per atom (Densuremath{approxeq}5, and ensuremath{mu} is the shear modulus), except ensuremath{Gamma} whose number of units then depends on f. For the metals considered we estimated that Densuremath{mu}${a}^{3}$${f}^{2}$=0.15 eV/p atom for f=4%. The calculations show that the contribution of ensuremath{Gamma} to ${E}_{F}$ is dominant in both magnitude (ensuremath{Gamma}ensuremath{approxeq}0.9${E}_{F}$) and dependence on ensuremath{Vert}ensuremath{theta}ensuremath{Vert}; ${E}_{F}$ having a cusped minimum (ensuremath{approxeq}1.8 eV at ensuremath{Vert}ensuremath{theta}ensuremath{Vert}=0ifmmode^circelsetextdegreefi{}) and a stationary maximum of 2.7 eV/atom at ensuremath{Vert}ensuremath{theta}ensuremath{Vert}=45ifmmode^circelsetextdegreefi{}. No meaningful observations exist to test the importance of the surface-misfit-induced contribution, which is the main theme of the present paper. It is believed that the predictions will stimulate future investigations and provide the guidelines for the goals thereof." @default.
- W1972589061 created "2016-06-24" @default.
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- W1972589061 date "1988-02-15" @default.
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- W1972589061 title "Interplay of surface misfit and monatomic steps on crystal surfaces. II. Dependence of energy of formation on step orientation" @default.
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- W1972589061 doi "https://doi.org/10.1103/physrevb.37.2902" @default.
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