Wigner–Seitz radius

The Wigner–Seitz radius r s {\displaystyle r_{\rm {s}}} , named after Eugene Wigner and Frederick Seitz, is the radius of a sphere whose volume is equal to the mean volume per atom in a solid (for first group metals).[1] In the more general case of metals having more valence electrons, r s {\displaystyle r_{\rm {s}}} is the radius of a sphere whose volume is equal to the volume per a free electron.[2] This parameter is used frequently in condensed matter physics to describe the density of a system. Worth to mention, r s {\displaystyle r_{\rm {s}}} is calculated for bulk materials.

Formula

In a 3-D system with N {\displaystyle N} free valence electrons in a volume V {\displaystyle V} , the Wigner–Seitz radius is defined by

4 3 π r s 3 = V N = 1 n , {\displaystyle {\frac {4}{3}}\pi r_{\rm {s}}^{3}={\frac {V}{N}}={\frac {1}{n}}\,,}

where n {\displaystyle n} is the particle density. Solving for r s {\displaystyle r_{\rm {s}}} we obtain

r s = ( 3 4 π n ) 1 / 3 . {\displaystyle r_{\rm {s}}=\left({\frac {3}{4\pi n}}\right)^{1/3}.}

The radius can also be calculated as

r s = ( 3 M 4 π ρ N V N A ) 1 3 , {\displaystyle r_{\rm {s}}=\left({\frac {3M}{4\pi \rho N_{V}N_{\rm {A}}}}\right)^{\frac {1}{3}}\,,}

where M {\displaystyle M} is molar mass, N V {\displaystyle N_{V}} is count of free valence electrons per particle, ρ {\displaystyle \rho } is mass density and N A {\displaystyle N_{\rm {A}}} is the Avogadro constant.

This parameter is normally reported in atomic units, i.e., in units of the Bohr radius.

Values of r s {\displaystyle r_{\rm {s}}} for the first group metals:[2]

Element r s / a 0 {\displaystyle r_{\rm {s}}/a_{0}}
Li 3.25
Na 3.93
K 4.86
Rb 5.20
Cs 5.62

See also

References

  1. ^ Girifalco, Louis A. (2003). Statistical mechanics of solids. Oxford: Oxford University Press. p. 125. ISBN 978-0-19-516717-7.
  2. ^ a b *Ashcroft, Neil W.; Mermin, N. David (1976). Solid State Physics. Holt, Rinehart and Winston. ISBN 0-03-083993-9.


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