Three-Dimensional Crystal Lattices

2016 ◽  
pp. 55-112
Keyword(s):  
Three Dimensional ◽  
Crystal Lattices ◽  
Dimensional Crystal

Band Structure Theory for Extended Systems

2020 ◽  
pp. 246-278
Author(s):  
Jochen Autschbach
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Electron Gas ◽  
Three Dimensional ◽  
Structure Theory ◽  
Crystal Lattices ◽  
Hückel Theory ◽  
Periodic Linear ◽  
Crystal Orbitals ◽  
Dimensional Crystal

The electronic structure of infinite periodic systems (crystals) is treated with band structure theory, replacing molecular orbitals by crystal orbitals. The chapter starts out by introducing the electron gas and definitions of the Fermi momentum, the Fermi energy, and the density of states (DOS). A periodic linear combination of atomic orbitals (LCAO) type treatment of an infinite periodic system is facilitated by the construction of Bloch functions. The notions of energy band and band gap are discussed with band structure concepts, using the approximations made in Huckel theory (chapter 12). One, two, and three-dimensional crystal lattices and the associated reciprocal lattices are introduced. The band structures of sodium metal, boron nitride, silicon, and graphite, are discussed as examples of metals, insulators, semi-conductors, and semi-metals, respectively. The chapter concludes with a brief discussion of the projected DOS and measures to determine bonding or antibonding interactions between atoms in a crystal.

A New Three Dimensional Crystal Structure of a Cadmium Thiolate

1995 ◽  
Vol 34 (19) ◽  
pp. 4926-4929 ◽  
Author(s):  
Tobias Vossmeyer ◽  
Guenter Reck ◽  
Lynne Katsikas ◽  
Erhard T. K. Haupt ◽  
Burkhard Schulz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Dimensional Crystal

Stress-Driven Nucleation of Three-Dimensional Crystal Islands: From Quantum Dots to Nanoneedles

2010 ◽  
Vol 10 (9) ◽  
pp. 3949-3955 ◽  
Author(s):  
V. G. Dubrovskii ◽  
N. V. Sibirev ◽  
X. Zhang ◽  
R. A. Suris
Keyword(s):  
Quantum Dots ◽  
Three Dimensional ◽  
Dimensional Crystal
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