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Aditya M. Vora
Parmeshwari 165, Vijaynagar Area, Hospital Road,
Bhuj – Kutch, 370 001, Gujarat, INDIA
In the present article, the residual resistivity of some metallic elements of the periodic table is
reported on the basis of model potential formalism. Ashcroft’s well known empty core (EMC) model
potential is explored first time with five different types of the local field correction functions proposed by
Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al (F) and Sarkar et al (S) to investigate the effect of
the exchange and correlation on the aforesaid properties. The comparisons of presently computed results are
found in qualitative agreement with available theoretical and experimental findings. Present investigation of
the residual resistivity is found to be quite sensitive to the selection of local field correction function and
showing a significant variation with the change in the function.
Keywords : Pseudopotential; residual resitivity; metallic elements
PACS : 71.15. Dx., 71.55.Ak, 72.10-d.
Where n is the ion number density, vF the Fermi Where ε H (q ) is the static Hartree dielectric
velocity, k F the Fermi wave vector, Ω′ ' the solid
function and the expression of ε H (q ) is given by
angle in the scattering vector space, W ( x ) the [12],
screened form factor of electron-ion interaction and
x = q/kF with q the momentum transfer wave m e2 ⎛ 1 − η2
⎜ 1+ η ⎞
ε H (q ) = 1 + + 1⎟⎟ ; η =
q
vector. For the residual resistivity of metallic ⎜
ln
elements, the Eq. (1) is written as [1-4]
2
2π k h η2 2 η 1− η 2kF
F ⎝ ⎠
(6)
2 2
3 π m ΩOC
ρv = ∫ W(x) x 3 dx. ()
While f q the local field correction function. In
8 h e2 E F 0 the present investigation, the local field correction
functions due to H [12], T [13], IU [14], F [15] and
(2) S [16] are incorporated to see the impact of
exchange and correlation effects. The details of all
Here, Ω O , C and W (x ) are the atomic volume of the local field corrections are below.
the metallic elements, the atomic fraction of the The H-screening function [12] is purely
impurity and form factor of metals, respectively. static, and it does not include the exchange and
correlation effects. The expression of it is,
In the present work, we have calculated ρv
by applying Ashcroft’s well known empty core
(EMC) model potential [11] including five different
f (q ) = 0 . (7)
types of the local field correlation functions [12-
16]. The bare ion model potential WB r in r - () Taylor (T) [13] has introduced an
analytical expression for the local field correction
space explored in the present investigation is of the function, which satisfies the compressibility sum
form (in atomic units) [11], rule exactly. This is the most commonly used local
field correction function and covers the overall
WB (r ) = 0 ; for r < rC features of the various local field correction
functions proposed before 1972. According to T
− Ze 2 .
[13],
= ; for r ≥ rC
r
q2 ⎡ 0.1534 ⎤
(3) f (q ) = ⎢1 + 2 ⎥
. (8)
4 k F2 ⎣ π k F ⎦
given a local field correction function. Hence, F- [9] P. K. Sharma, Jai Prakash, K. N. Mehrotra
function represents same characteristic nature. and P. C. Sharma, Acta Phys. Pol. A56,
765 (1979).
The numerical value of the residual resistivity is
[10] V. Bortolani and C. Calandra, Phys. Rev.
found to be quite sensitive to the selection of the
B1, 1699 (1970).
local field correction function and showing a
[11] N. W. Ashcroft, Phys. Lett. 23, 48
significant variation with the change in the
(1966).
function.
[12] W. A. Harrison, Pseudopotential in the
Thus, the calculation of the residual resistivity is
Theory of Metals, (W. A. Benjamin, Inc.,
one of the sensitive test for the proper assessment
New York, 1966).
of the form factor of the model potential and in the
[13] R. Taylor, J. Phys. F: Metal Phys. 8, 1699
absence of experimental information such
(1978).
calculations may be considered as one of the
[14] S. Ichimaru and K. Utsumi, Phys. Rev.
guidelines for further investigations either
B24, 7385 (1981).
theoretical or experimental.
[15] B. Farid, V. Heine, G. E. Engel and I. J.
In contrast with the reported studies, the present
Robertson, Phys. Rev. B48, 11602 (1993).
study spans the metallic elements of the different
[16] A. Sarkar, D. S. Sen, S. Haldar and D.
groups of the periodic table on a common platform
Roy, Mod. Phys. Lett. B12, 639 (1998).
of the model potential and common criteria for
[17] M. L. Cohen and V. Heine, Solid State
evaluating parameter of the model potential. This
Physics, Eds. H. Ehrenreich et al.
is very much essential for obtaining concrete
(Academic Press, New York, 1970) Vol.
conclusions.
24, p. 196.
IV.CONCLUSIONS
Lastly we concluded that, the residual resistivity of
large number of metallic elements of the different
Table 1. Input parameters and constants used in the
groups of the periodic table using EMC model
present calculations.
potential with five different types of local field
correction functions is reported for the first time.
The EMC model potential with more advanced IU,
Metal Z Ω O (au k F (au) rC (au)
s
F and S-local field correction functions generate )3