Gallium Polymorphism: First Principles Calculations
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Gallium has become a very intriguing material for the scientific community due to its many attractive properties. In its solid state, Ga presents a wide polymorphism. A total of five different crystalline structures (?, ?, ?, ?, ?) have been reported in literature. The ability to change Ga optical properties using structural transformations enables new mechanisms for plasmonics and photonics applications. However, the design of this type of devices has been hampered by the lack of information about the dielectric dispersion profiles of the different Ga phases. In this seminar we will show density functional calculations of the crystalline structure, band diagram, density of states and optical response of the various Ga phases.