Formation of monatomic Fe chains on vicinal Cu(111) surfaces: An atomistic view
文献类型：期刊论文
| 作者 | Guo, JD ; Mo, Y ; Kaxiras, E ; Zhang, ZY ; Weitering, HH |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2006 |
| 卷号 | 73期号:19 |
| 关键词 | SCANNING TUNNELING MICROSCOPE THIN-FILMS FERROMAGNETISM MAGNETISM DYNAMICS CU(100) GROWTH ENERGY STEP WAVE |
| ISSN号 | 1098-0121 |
| 通讯作者 | Guo, JD: Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. |
| 中文摘要 | An accurate full-potential density-functional method is used to study zircon-type YCrO4 as a function of pressure. The lattice parameters and oxygen positions of YCrO4 in zircon-type and scheelite-type structures are investigated in theory. It is calculated by considering the on-site Coulomb interaction that a phase transition from the zircon phase to the scheelite phase takes place at a pressure of 2.9 GPa, which is in good agreement with the experimental observation. The bulk moduli evaluated from the Murnaghan equation as the relation of the total energies with unit cell volumes are 121.61 GPa and 141.28 GPa for the zircon phase and the scheelite phase, respectively. From the spin-dependent density of states and the energy bands, it is concluded that YCrO4 is a ferromagnetic insulator with a magnetic moment of about 1 mu(B) per formula for both phases. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/38409]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Guo, JD,Mo, Y,Kaxiras, E,et al. Formation of monatomic Fe chains on vicinal Cu(111) surfaces: An atomistic view[J]. PHYSICAL REVIEW B,2006,73(19). |
| APA | Guo, JD,Mo, Y,Kaxiras, E,Zhang, ZY,&Weitering, HH.(2006).Formation of monatomic Fe chains on vicinal Cu(111) surfaces: An atomistic view.PHYSICAL REVIEW B,73(19). |
| MLA | Guo, JD,et al."Formation of monatomic Fe chains on vicinal Cu(111) surfaces: An atomistic view".PHYSICAL REVIEW B 73.19(2006). |
入库方式： OAI收割
来源：物理研究所
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