| | |
| | |
Stat |
Members: 3645 Articles: 2'506'133 Articles rated: 2609
26 April 2024 |
|
| | | |
|
Article overview
| |
|
Local Density Approximation Description of Electronic Properties of Wurtzite Cadmium Sulfide (w-CdS) | E.C. Ekuma
; L. Franklin
; G.L. Zhao
; J.T. Wang
; D. Bagayoko
; | Date: |
12 Nov 2010 | Abstract: | We present calculated, electronic and related properties of wurtzite cadmium
sulfide (w-CdS). Our ab-initio, non-relativistic calculations employed a local
density functional approximation (LDA) potential and the linear combination of
atomic orbitals (LCAO). Following the Bagayoko, Zhao, and Williams (BZW)
method, we solved self-consistently both the Kohn-Sham equation and the
equation giving the ground state density in terms of the wave functions of the
occupied states. Our calculated, direct band gap of 2.47 eV, at the point, is
in excellent agreement with experiment. So are the calculated density of states
and the electron effective mass. In particular, our results reproduce the peaks
in the conduction band density of states, within the experimental
uncertainties. | Source: | arXiv, 1011.2793 | Services: | Forum | Review | PDF | Favorites |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
|
| |
|
|
|
| News, job offers and information for researchers and scientists:
| |