Lattice constant, DOS, and band structure of Si: Difference between revisions
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(Created page with "==Lattice constant of Si== For bulk materials it is a common task in DFT calculations, given an atomic structure, to find the equilibrium volume of the unit cell. Here we stu...") |
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For bulk materials it is a common task in DFT calculations, given an atomic structure, to find the equilibrium volume of the unit cell. Here we study Silicon which has diamond lattice structure shown in the Figure below: | For bulk materials it is a common task in DFT calculations, given an atomic structure, to find the equilibrium volume of the unit cell. Here we study Silicon which has diamond lattice structure shown in the Figure below: | ||
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| [[Image:si.png|thumb|600px|FIG. 1: Electronic band structure of fcc-Ni.]] | |||
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