exercises:2018_uzh_cmest:defects_in_silicon
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| exercises:2018_uzh_cmest:defects_in_silicon [2018/09/17 12:52] – external edit 127.0.0.1 | exercises:2018_uzh_cmest:defects_in_silicon [2018/10/30 09:24] – [Analyzing defects in bulk silicon] abussy | ||
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| - | For both geometries create a vacancy by removing one Silicon atom, re-calculate the total energy and compare it to the total energy of the intact bulk Silicon minus the single atom energy. What do you observe? Why? | + | For both geometries create a vacancy by removing one Silicon atom, re-calculate the total energy and compare it to the total energy of the intact bulk Silicon minus the single atom energy |
| <note tip>You may have to employ some of the techniques mentioned in [[PDOS|Projected density of states and Band structure for WO$_3$]] to make the calculations converge.</ | <note tip>You may have to employ some of the techniques mentioned in [[PDOS|Projected density of states and Band structure for WO$_3$]] to make the calculations converge.</ | ||
exercises/2018_uzh_cmest/defects_in_silicon.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1