| dc.contributor | 應物所 | en_US |
| dc.creator (作者) | 楊志開 | zh_TW |
| dc.creator (作者) | Yang,Chih-Kai | en_US |
| dc.date (日期) | 1998 | en_US |
| dc.date.accessioned | 25-Sep-2014 11:50:40 (UTC+8) | - |
| dc.date.available | 25-Sep-2014 11:50:40 (UTC+8) | - |
| dc.date.issued (上傳時間) | 25-Sep-2014 11:50:40 (UTC+8) | - |
| dc.identifier.uri (URI) | http://nccur.lib.nccu.edu.tw/handle/140.119/70153 | - |
| dc.description.abstract (摘要) | Using a streamlined computation scheme, an efficient calculation of the electronic structure of Cu(001) is achieved. The method employs the tight-binding linear muffin-tin orbitals and takes advantage of a matrix operation that greatly reduces the computation time. Coupled with a scaling self-consistent procedure, reasonable results including layer-resolved local density of states, dipole moment, and work function are obtained. The results also strongly suggest that one empty overlayer is enough for surface calculation and that at least six more layers below the intended surface layer are needed in order to have a convergent local density of states. | en_US |
| dc.format.extent | 115 bytes | - |
| dc.format.mimetype | text/html | - |
| dc.language.iso | en_US | - |
| dc.relation (關聯) | Journal of the Physical Society of Japan,67(6).2055-2057 | en_US |
| dc.title (題名) | Calculation of Cu(001) and Its Computation Efficiency | en_US |
| dc.type (資料類型) | article | en |
