Bibliographic Citation
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| DOI | 10.1103/PhysRevLett.88.256402 |
| Title | Charge-density patching method for unconventional semiconductor binary systems |
| Creator/Author | Wang, Lin-Wang |
| Publication Date | 2002 Sep 17 |
| OSTI Identifier | OSTI ID: 803765 |
| Report Number(s) | LBNL--49642 |
| DOE Contract Number | AC03-76SF00098 |
| Other Number(s) | Journal ID: ISSN 0031-9007; PRLTAO; R&D Project: KX0410; Other: B& R KJ0102000; TRN: US200302%%324 |
| Resource Type | Journal Article |
| Resource Relation | Journal Name: Physical Review Letters; Journal Volume: 88; Journal Issue: 25; Other Information: Journal Publication Date: 24 June 2002; PBD: 17 Sep 2002 |
| Research Org | Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US) |
| Sponsoring Org | USDOE Director, Office of Science. Office of Advanced Scientific Computing Research. Mathematical, Information, and Computational Sciences Division (US) |
| Subject | 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOYS; CHARGE DENSITY; LAWRENCE BERKELEY LABORATORY |
| Related Subject | SEMICONDUCTOR NANOSTRUCTURE CHARGE DENSITY |
| Description/Abstract | Unconventional semiconductor alloys exhibit many unusual features and are under intensive studies recently. However, as initio methods cannot be applied directly to these systems due to their large sizes. In this work, a motif based charge patching method is introduced to generate the ab initio quality charge densities for these large systems. The resulting eigen energies are almost the same as the original ab initio eigen energies (with 20-50 meV errors). |
| Country of Publication | United States |
| Language | English |
| Format | Medium: X; Size: vp. |
| System Entry Date | 2008 Aug 25 |
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