Modeling sp Materials
Jens Kunstmann
Broschiertes Buch

Modeling sp Materials

Novel Phases of Elemental Boron, Structure Control of Nanotubes, and the Enatom Method

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Materials whose valence states consist of atomic s and p orbitals are commonly referred to as sp materials. The book introduces to the theory of electronic structure calculations for sp materials and studies the sp materials boron, lithium and aluminum. The biggest part of the book is dedicated to the investigation of novel phases of elemental boron, where boron sheets, boron nanotubes, and layered boron bulk materials are explored. Then a new route to achieve control over the atomic structure of nanotubes during their synthesis is proposed. Finally, the author presents the first realization o...