First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys
Link to publisher's homepage at http://www.elsevier.com/
Saved in:
| Main Authors: | , , , , , |
|---|---|
| 其他作者: | |
| 格式: | Article |
| 語言: | English |
| 出版: |
Elsevier B.V.
2013
|
| 主題: | |
| 在線閱讀: | http://dspace.unimap.edu.my/xmlui/handle/123456789/26236 |
| 標簽: |
添加標簽
沒有標簽, 成為第一個標記此記錄!
|
| id |
my.unimap-26236 |
|---|---|
| record_format |
dspace |
| spelling |
my.unimap-262362013-06-27T01:53:06Z First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys Guemou, M. Bouhafs, B. Abdiche, A. Khenata, R. Yarub, Al - Douri S., Omran guemoumhamed7@gmail.com Full-potential augmented plane-wave (FP-LAPW) DFT Wien2k Boron compound GaAs BAs Alloys Link to publisher's homepage at http://www.elsevier.com/ Density functional calculations are performed to study the structural, electronic and optical properties of technologically important BxGa1−xAs ternary alloys. The calculations are based on the total-energy calculations within the full-potential augmented plane-wave (FP-LAPW) method. For exchange-correlation potential, local density approximation (LDA) and the generalized gradient approximation (GGA) have been used. The structural properties, including lattice constants, bulk modulus and their pressure derivatives, are in very good agreement with the available experimental and theoretical data. The electronic band structure, density of states for the binary compounds and their ternary alloys are given. The dielectric function and the refractive index are also calculated using different models. The obtained results compare very well with previous calculations and experimental measurements. 2013-06-27T01:53:06Z 2013-06-27T01:53:06Z 2012-04-15 Article Physica B: Condensed Matter, vol.407(8), 2012, pages 1292–1300 0921-4526 http://www.sciencedirect.com/science/article/pii/S0921452612001573 http://hdl.handle.net/123456789/26236 en Elsevier B.V. |
| institution |
Universiti Malaysia Perlis |
| building |
UniMAP Library |
| collection |
Institutional Repository |
| continent |
Asia |
| country |
Malaysia |
| content_provider |
Universiti Malaysia Perlis |
| content_source |
UniMAP Library Digital Repository |
| url_provider |
http://dspace.unimap.edu.my/ |
| language |
English |
| topic |
Full-potential augmented plane-wave (FP-LAPW) DFT Wien2k Boron compound GaAs BAs Alloys |
| spellingShingle |
Full-potential augmented plane-wave (FP-LAPW) DFT Wien2k Boron compound GaAs BAs Alloys Guemou, M. Bouhafs, B. Abdiche, A. Khenata, R. Yarub, Al - Douri S., Omran First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys |
| description |
Link to publisher's homepage at http://www.elsevier.com/ |
| author2 |
guemoumhamed7@gmail.com |
| author_facet |
guemoumhamed7@gmail.com Guemou, M. Bouhafs, B. Abdiche, A. Khenata, R. Yarub, Al - Douri S., Omran |
| format |
Article |
| author |
Guemou, M. Bouhafs, B. Abdiche, A. Khenata, R. Yarub, Al - Douri S., Omran |
| author_sort |
Guemou, M. |
| title |
First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys |
| title_short |
First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys |
| title_full |
First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys |
| title_fullStr |
First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys |
| title_full_unstemmed |
First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys |
| title_sort |
first-principles calculations of the structural, electronic and optical properties of cubic bxga1−xas alloys |
| publisher |
Elsevier B.V. |
| publishDate |
2013 |
| url |
http://dspace.unimap.edu.my/xmlui/handle/123456789/26236 |
| _version_ |
1643794880655261696 |
| score |
13.251813 |