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.

scholarly journals Super-resolution lightwave tomography of electronic bands in quantum materials

Science ◽  
2020 ◽  
Vol 370 (6521) ◽  
pp. 1204-1207
Author(s):  
M. Borsch ◽  
C. P. Schmid ◽  
L. Weigl ◽  
S. Schlauderer ◽  
N. Hofmann ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Three Dimensional ◽  
Super Resolution ◽  
Many Body ◽  
Small Quantum ◽  
All Optical ◽  
Quantum Materials ◽  
Quantum Phenomena

Searching for quantum functionalities requires access to the electronic structure, constituting the foundation of exquisite spin-valley–electronic, topological, and many-body effects. All-optical band-structure reconstruction could directly connect electronic structure with the coveted quantum phenomena if strong lightwaves transported localized electrons within preselected bands. Here, we demonstrate that harmonic sideband (HSB) generation in monolayer tungsten diselenide creates distinct electronic interference combs in momentum space. Locating these momentum combs in spectroscopy enables super-resolution tomography of key band-structure details in situ. We experimentally tuned the optical-driver frequency by a full octave and show that the predicted super-resolution manifests in a critical intensity and frequency dependence of HSBs. Our concept offers a practical, all-optical, fully three-dimensional tomography of electronic structure even in microscopically small quantum materials, band by band.

EXCITON INSULATOR STATES IN MATERIALS WITH ‘MEXICAN HAT’ BAND STRUCTURE DISPERSION AND IN GRAPHENE

2015 ◽  
Vol 11 (1) ◽  
pp. 2927-2949
Author(s):  
Lyubov E. Lokot
Keyword(s):  
Band Structure ◽  
Three Dimensional ◽  
Dimensional Sphere ◽  
Electron Hole ◽  
Dinger Equation ◽  
Fermi Sphere ◽  
Zinc Blende ◽  
Bulk Gan ◽  
Structure Dispersion ◽  
Excitonic States

In the paper a theoretical study the both the quantized energies of excitonic states and their wave functions in grapheneand in materials with "Mexican hat" band structure dispersion as well as in zinc-blende GaN is presented. An integral twodimensionalSchrödinger equation of the electron-hole pairing for a particles with electron-hole symmetry of reflection isexactly solved. The solutions of Schrödinger equation in momentum space in studied materials by projection the twodimensionalspace of momentum on the three-dimensional sphere are found exactly. We analytically solve an integral twodimensionalSchrödinger equation of the electron-hole pairing for particles with electron-hole symmetry of reflection. Instudied materials the electron-hole pairing leads to the exciton insulator states. Quantized spectral series and lightabsorption rates of the excitonic states which distribute in valence cone are found exactly. If the electron and hole areseparated, their energy is higher than if they are paired. The particle-hole symmetry of Dirac equation of layered materialsallows perfect pairing between electron Fermi sphere and hole Fermi sphere in the valence cone and conduction cone andhence driving the Cooper instability. The solutions of Coulomb problem of electron-hole pair does not depend from a widthof band gap of graphene. It means the absolute compliance with the cyclic geometry of diagrams at justification of theequation of motion for a microscopic dipole of graphene where >1 s r . The absorption spectrums for the zinc-blendeGaN/(Al,Ga)N quantum well as well as for the zinc-blende bulk GaN are presented. Comparison with availableexperimental data shows good agreement.

Sign in / Sign up

Export Citation Format

Share Document