S. Halas et T. Durakiewicz, Work functions of elements expressed in terms of the Fermi energy and the density of free electrons, J PHYS-COND, 10(48), 1998, pp. 10815-10826
On the basis of Brodie's definition of the work function and the length of
spontaneous polarization of plasma, the following new formula for calculati
on of the work functions of elements has been derived: phi/eV = 43.46 alpha
r(s)(-3/2) (E-F/eV)(-1/2), where r(s) is the electron density parameter ex
pressed in units of the Bohr radius, EF is the Fermi energy and alpha is an
empirical constant (alpha = 0.86 for the alkali metals, Ca, Sr, Pa Ra and
Tl, whereas alpha = 1.00 for the remaining elements). The density parameter
was calculated from the atomic mass, the bulk density of the element and t
he assessed number of free electrons per atom which is equal to the nominal
valence of the element or, in the case of transition metals, close to this
number (within +/-0.5).
The values obtained by using the above formula are in excellent agreement w
ith experimental data for pure-metal polycrystalline surfaces, within 5% in
most cases. A table with the work functions and with complete input data f
or most of the elements is presented.