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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.

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Mechanisms of the Wurtzite to Rock Salt Phase Transitions in Galium Nitride

Gunter, Jesse Z. 07 June 2006 (has links) (PDF)
We studied the wurtzite to rock salt phase transition in gallium nitride ( GaN ). Using the mapping algorithm of COMSUBS we found 435 possible mechanisms for this transition. We then used FIREBALL to do density functional theory calculations and found enthalpy barrier heights for the transition pathway. We used this to determine the mechanisms that are the most favorable for GaN. The most favorable mechanisms for GaN are those that break no bonds during the phase transition. The bond-preserving mechanisms involve bilayer sliding of (010) hexagonal plane in the plus or minus [100] hexagonal direction.
GaN
phase transition
wurtzite
FIREBALL
COMSUBS
rock salt
Astrophysics and Astronomy
Physics

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