User Tools

Site Tools


exercises:2018_uzh_cmest:defects_in_silicon

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Next revision Both sides next revision
exercises:2018_uzh_cmest:defects_in_silicon [2018/09/17 12:52]
127.0.0.1 external edit
exercises:2018_uzh_cmest:defects_in_silicon [2018/10/30 09:24]
abussy [Analyzing defects in bulk silicon]
Line 65: Line 65:
 </​note>​ </​note>​
  
-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 ​(= vacancy formation energy). What do you observe? Why?
  
 <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>​ <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>​
exercises/2018_uzh_cmest/defects_in_silicon.txt ยท Last modified: 2018/10/30 13:13 by abussy