Abstract
The energy band structure of metallic gold has been calculated by non-relativistic and relativistic augmented plane wave methods. The E(k) against k curves are plotted for some directions of high symmetry. The conduction band is an s-d mixture. The density of states curves are plotted. The results are compared with available experimental and other theoretical data on the band structure of gold
Keywords
Electronic band structureSymmetry (geometry)Conduction bandPlane waveCondensed matter physicsGold alloysPlane (geometry)Relativistic quantum chemistryMaterials scienceMetalPhysicsComputational physicsAtomic physicsMolecular physicsOpticsGeometryQuantum mechanicsMathematicsMetallurgy
Affiliated Institutions
Related Publications
Symmetry and Free Electron Properties of the Gallium Energy Bands
Atomic arrangement, unit cell, and Brillouin zone of metallic gallium are described, including notations for the various symmetry directions. The point and space groups are disc...
Projector-basis technique and Car-Parrinello scaling in mixed-basis, linearized-augmented-plane-wave, and extended linearized-augmented-plane-wave electronic-structure methods
It is shown that by exploiting auxiliary or projector-basis functions as a local representation of plane waves, highly efficient implementations of several band-structure techni...
Projector augmented wave method with spin-orbit coupling: Applications to simple solids and zincblende-type semiconductors
Using the fully relativistic projector augmented wave (PAW) approach, we address the relevance of spin-orbit coupling for the structural properties of several solids. Results av...
Eight-band<b>k</b>⋅<b>p</b>model of strained zinc-blende crystals
Second-order L\"owdin perturbation theory is used to calculate the interaction matrices for an eight-band k\ensuremath{\cdot}p model (near the \ensuremath{\Gamma} point) of zinc...
Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MoSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MoS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">WSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>. II. The nature of the optical band gaps
From band-structure calculations it is shown that MoSe2, MoS2, and WSe2 are indirect-gap semiconductors. The top of the valence band is at the Γ point and the bottom of the cond...
Publication Info
- Year
- 1970
- Type
- article
- Volume
- 3
- Issue
- 1S
- Pages
- S1-S9
- Citations
- 36
- Access
- Closed
External Links
Social Impact
Altmetric
PlumX Metrics
Social media, news, blog, policy document mentions
Citation Metrics
36
OpenAlex
1
Influential
33
CrossRef
Cite This
M G Ramchandani
(1970).
Energy band structure of gold.
Journal of Physics C Solid State Physics
, 3
(1S)
, S1-S9.
https://doi.org/10.1088/0022-3719/3/1s/301
Identifiers
- DOI
- 10.1088/0022-3719/3/1s/301