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exercises:common:wf [2022/10/31 18:11] – removed jglanexercises:common:wf [2022/10/31 18:12] (current) – old revision restored (2022/09/20 15:06) jglan
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 +The **work function** is the minimum thermodynamic work needed to remove an electron from a solid (or surface) to a point in the vacuum. The work function is not a characteristic of a bulk material, but rather a property of the surface of the material.
 +The work function //W// for a given surface is defined by the difference between Fermi level and electrostatic potential in the vacuum:
 +$W = -e\phi - E_f$
 +where $\phi$ is the electrostatic potential in the vacuum and $E_f$ is the Fermi level of the surface.
 +Those two quantities can be obtained from [[| PDOS]] and [[ | V_HARTREE_CUBE]].
 +One can use [[ | Cubecruncher]] to compute the profile along the normal of the surface to obtained the electrostatic potential of the given surface and vacuum.
 +cubecruncher.x -i input.cube -o output.cube -1d_profile 3 0.001
exercises/common/wf.txt · Last modified: 2022/10/31 18:12 by jglan