What is the formation energy of a defect? What does it mean in physics?

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SUMMARY

The formation energy of a defect in semiconductors is defined as the difference in total crystal energy before and after the defect occurs. This energy quantifies the penalty associated with broken atomic bonds and lattice stress. A high formation energy indicates that the defect is unlikely to be present, as it requires significant energy to maintain. Additionally, the presence of a defect increases entropy due to the greater number of possible microstates compared to a perfect crystal.

PREREQUISITES
  • Understanding of semiconductor physics
  • Familiarity with crystal lattice structures
  • Knowledge of thermodynamic principles, particularly entropy
  • Basic concepts of atomic bonding and defects in materials
NEXT STEPS
  • Research the calculation methods for formation energy in semiconductors
  • Explore the relationship between defect formation energy and material properties
  • Study the impact of defects on semiconductor performance
  • Learn about entropy and its role in crystal defect thermodynamics
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This discussion is beneficial for physicists, materials scientists, and engineers involved in semiconductor research and development, particularly those focusing on defect characterization and its implications on material performance.

smokefly
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I am reading some theoretical papers on the defects in semiconductors. Theorists can calculate the formation energy of a certain kind of defect. If the number is too big, this defect is very unlikely to be seen. So what does this “formation energy” mean? Is that the energy necessary to move atoms together to form this defect, which is also the energy necessary to keep the defect structure from dissociating? That's my understanding but I don't know if it is correct or not.
 
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The formation energy is the difference in the total crystal energy before and after the defect arises. It represents the penalty in broken atomic bonds and in lattice stress. Opposing this energy penalty, however, is the increase in entropy because a crystal containing a defect has more possible microstates than a perfect crystal. Does this help?
 
Thanks a lot for the clear image. It helps a lot.

Mapes said:
The formation energy is the difference in the total crystal energy before and after the defect arises. It represents the penalty in broken atomic bonds and in lattice stress. Opposing this energy penalty, however, is the increase in entropy because a crystal containing a defect has more possible microstates than a perfect crystal. Does this help?
 

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