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S.A. Surma, J. Brona and A. Ciszewski

Abstract

Work function (WF) and some physicochemical data for several most prominent crystal planes of three metals of typical structures are calculated within the linear approximation employing the surface dipole and 2D gas models. “Composite” crystal of a homogeneous bulk phase and a thick surface composed of eight (h k l)-oriented facets with different unsaturated bonds is treated as a nine-phase nine-component system with two degrees of freedom. It contains the two-dimensional metal-lattice plasma of free electrons and the immobile atom-core network. For twenty four (h k l) surfaces, the WF and dipole barrier term, chemical and electrostatic potential levels, electron charge densities, surface dipole fields, and other parameters are calculated and tabularized. WF values obtained from the thermodynamics based formula are compared to the ones obtained from the quantum mechanics based formula, which shows good agreement with experiment and also reveals a specific deviation in the case of field emission method for the most packed plane. A set of accurate face dependent data can be of interest to electronics and materials science workers

Open access

S.A. Surma, J. Brona and A. Ciszewski

Abstract

Metal-lattice plasma is treated as a neutral two-component two-phase system of 2D surface and 3D bulk. Free electron density and bulk chemical potential are used as intensive parameters of the system with the phase boundary position determined in the crystalline lattice. A semiempirical expression for the electron screened electrostatic potential is constructed using the lattice-plasma polarization concept. It comprises an image term and three repulsion/attraction terms of second and fourth orders. The novel curve has two extremes and agrees with certain theoretical forms of potential. A practical formula for the electron work function of metals and a simplified schema of electronic structure at the metal/vacuum interface are proposed. This yields 10.44 eV for the Fermi energy of free electron gas; -5.817 eV for the Fermi energy level; 4.509 eV for the average work function of bcc tungsten. Selected data are also given for fcc Cu and hcp Re. For harmonic frequencies ~ 10E16 per s of the self-excited metal-lattice plasma, energy gaps of 14.54 and 8.02 eV are found, which correspond to the bulk and surface plasmons, respectively. Further extension of this thermodynamics and metal-lattice theory based approach may contribute to a better understanding of theoretical models which are employed in chemical physics, catalysis and materials science of nanostructures.