First-principles calculations of hydrogen in bulk GaAs
| ISSN: |
0921-4526
|
|---|---|
| Source: |
Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
|
| Topics: |
Physics
|
| Type of Medium: |
Electronic Resource
|
| URL: |
| _version_ | 1798292097126629378 |
|---|---|
| autor | Pavesi, L. Giannozzi, P. |
| autorsonst | Pavesi, L. Giannozzi, P. |
| book_url | http://linkinghub.elsevier.com/retrieve/pii/0921-4526(91)90151-4 |
| datenlieferant | nat_lic_papers |
| fussnote | We present the results of first-principles calculations of the properties of neutral (H^0) and charged (H^+ and H^-) hydrogen in bulk GaAs. The equilibrium sites are determined, and the electronic properties for the equilibrium positions are studied. H^+ behaves as a deep donor and prefers to stay in a high valence charge region which includes the bond center. H^- behaves as a deep acceptor and prefers the low valence charge region near a tetrahedral site. H^0 has an amphoteric behaviour depending on the site it occupies. We compare our results with the results of calculations for H in Si. |
| hauptsatz | hsatz_simple |
| identnr | NLZ177606843 |
| issn | 0921-4526 |
| journal_name | Physica B: Physics of Condensed Matter |
| materialart | 1 |
| package_name | Elsevier |
| publikationsort | Amsterdam |
| publisher | Elsevier |
| reference | 170 (1991), S. 392-396 |
| search_space | articles |
| shingle_author_1 | Pavesi, L. Giannozzi, P. |
| shingle_author_2 | Pavesi, L. Giannozzi, P. |
| shingle_author_3 | Pavesi, L. Giannozzi, P. |
| shingle_author_4 | Pavesi, L. Giannozzi, P. |
| shingle_catch_all_1 | Pavesi, L. Giannozzi, P. First-principles calculations of hydrogen in bulk GaAs 0921-4526 09214526 Elsevier |
| shingle_catch_all_2 | Pavesi, L. Giannozzi, P. First-principles calculations of hydrogen in bulk GaAs 0921-4526 09214526 Elsevier |
| shingle_catch_all_3 | Pavesi, L. Giannozzi, P. First-principles calculations of hydrogen in bulk GaAs 0921-4526 09214526 Elsevier |
| shingle_catch_all_4 | Pavesi, L. Giannozzi, P. First-principles calculations of hydrogen in bulk GaAs 0921-4526 09214526 Elsevier |
| shingle_title_1 | First-principles calculations of hydrogen in bulk GaAs |
| shingle_title_2 | First-principles calculations of hydrogen in bulk GaAs |
| shingle_title_3 | First-principles calculations of hydrogen in bulk GaAs |
| shingle_title_4 | First-principles calculations of hydrogen in bulk GaAs |
| sigel_instance_filter | dkfz geomar wilbert ipn albert fhp |
| source_archive | Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 |
| timestamp | 2024-05-06T08:43:05.417Z |
| titel | First-principles calculations of hydrogen in bulk GaAs |
| titel_suche | First-principles calculations of hydrogen in bulk GaAs We present the results of first-principles calculations of the properties of neutral (H^0) and charged (H^+ and H^-) hydrogen in bulk GaAs. The equilibrium sites are determined, and the electronic properties for the equilibrium positions are studied. H^+ behaves as a deep donor and prefers to stay in a high valence charge region which includes the bond center. H^- behaves as a deep acceptor and prefers the low valence charge region near a tetrahedral site. H^0 has an amphoteric behaviour depending on the site it occupies. We compare our results with the results of calculations for H in Si. |
| topic | U |
| uid | nat_lic_papers_NLZ177606843 |