graphene:electronic_structure
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graphene:electronic_structure [2010/02/27 11:32] jelen |
graphene:electronic_structure [2011/02/18 13:13] (current) |
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| To plot the band structure we generated a set of the special k-points heading from K(1/√3,1/3) point to Γ(0,0) ending at M(0,2/3) stored in file C1.kgm.kpts. | To plot the band structure we generated a set of the special k-points heading from K(1/√3,1/3) point to Γ(0,0) ending at M(0,2/3) stored in file C1.kgm.kpts. | ||
| - | {{:graphene:band:bs_alat2.46_2l.png|}} | ||
| ====== Real space electron denisty ====== | ====== Real space electron denisty ====== | ||
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| Another way to analyze the electronic structure of material is a plot of electron density in real space. This kind of analysis can be compared, with certain caution, with STM images. To obtain this image we have to proceed following steps: | Another way to analyze the electronic structure of material is a plot of electron density in real space. This kind of analysis can be compared, with certain caution, with STM images. To obtain this image we have to proceed following steps: | ||
| - | - | + | - obtain the SCF charges |
| + | - plot wavefunction in real-space | ||
graphene/electronic_structure.1267266741.txt.gz · Last modified: 2011/02/18 13:14 (external edit)
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