A computational study of germanium dioxide
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Abstract
This thesis presents calculations done on germanium dioxide. These have been done with interatomic pair potentials developed with the aid of a fitting procedure. Results for the crystalline modifications and the glassy state are presented. This includes static and dynamic properties of the GeO
Germanium dioxide is an intriguing compound, not only because it has not undergone the same vast computational exploration as has silicon dioxide, but also because it possesses some quite interesting features. One is the coexistence of two radically different crystal structures at ambient conditions. Another trait is that GeO
After an introduction, chapter 2 presents the known modifications of GeO