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LIBROS DEL AUTOR: danylo zherebetskyy

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Quantum Mechanical First Principles Calculations of the Electronic and Magnetic Structure of Fe-bearing Rock-forming Silicates

Danylo Zherebetskyy

The focus of this thesis is the study of the electronic and magnetic structure of three representative members of Fe-bearing rock-forming silicates, viz. orthoferrosilite (Fe2+2Si2O6), almandine (Fe2+3Al2(SiO4)3) and andradite (Ca3Fe3+2(SiO4)3). These minerals have attracted significant attention due to their abundance in the Earth’s crust and mantle, and because crystallised s...

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