Sökning: "Bruce N. Harmon"
Hittade 1 avhandling innehållade orden Bruce N. Harmon.
1. Density Functional Theory in Computational Materials Science
Sammanfattning : The present thesis is concerned to the application of first-principles self-consistent total-energy calculations within the density functional theory on different topics in materials science. Crystallographic phase-transitions under high-pressure has been study for TiO2, FeI2, Fe3O4, Ti, the heavy alkali metals Cs and Rb, and C3N4. LÄS MER
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