The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials.

The fundamental principles underlying the arrangement of elements into solid compounds with an enormous variety of crystal structures are still largely unknown. This study presents a general overview of the structure types appearing in an important subset of the solid compounds, i.e.

Structural stability and electronic properties of sp3 type silicon nanotubes.

A density functional theory study of the structural and electronic properties and relative stability of narrow hydrogen passivated sp(3) silicon nanotubes of different growth orientations is presented. All nanotubes studied and their corresponding wire structures are found to be meta-stable with the wires being more energetically stable. Silicon nanotubes show a dramatic bandgap increase of up to 68% with respect to the corresponding wires.