THE EXAFS STUDY OF NANOCRYSTALLINE ZIRCONIA
文献类型：期刊论文
| 作者 | WANG, YR ; LU, KQ ; WANG, DH ; WU, ZH ; Fang, ZZ |
| 刊名 | JOURNAL OF PHYSICS-CONDENSED MATTER
 |
| 出版日期 | 1994 |
| 卷号 | 6期号:3页码:633 |
| 关键词 | X-RAY-ABSORPTION FINE-STRUCTURE TEMPERATURE PALLADIUM CLUSTERS SPECTROSCOPY DEPENDENCE STANDARDS POWDERS SILVER |
| ISSN号 | 0953-8984 |
| 通讯作者 | WANG, YR (reprint author), UNIV SCI & TECHNOL BEIJING,BEIJING 100083,PEOPLES R CHINA. |
| 中文摘要 | The electronic structures of FeO4Ca8 and FeO(1)4(O)(2)Ca4Sr4 clusters in the Fe-doped Bi-system high-T-c phase are calculated using the SCF-X alpha-SW method. From the calculated result, we find that the Fe atom does not contribute to the density of states near the Fermi energy in both clusters. Fe substitution for Cu sites of Bi-2223 phase is highly deleterious to superconducting behavior. The energy gap of FeO(1)(4)O(2)Ca4Sr4 on the Fermi energy is about seven times larger than that of FeO4Ca8. Moreover, for the FeO(1)(4)O(2)Ca4Sr4, cluster, the peak of the density of states (DOS) in the high energy range shifts to the low energy range and forms new DOS peaks, in contrast to the density of states in the FeO4Ca8 cluster. The bonding of the hybridized orbital in FeO(1)(4)O(2)Ca4Sr4 is stronger than in FeO4Ca8 namely the FeO(1)(4)O(2)Ca4Sr4 is even stabler than the FeO4Ca8 cluster. Such calculated result provides satisfactory agreement with Fe-doped experiments. It is observed that T-c decreases with increasing iron content and Fe dopant gives rise to enhancement of the 2212 phase at expense of the 2223 phase in Bi-system superconductors. The calculated results can help us to understand the nature of Fe-doping for Cu on quantum mechanics background. Furthermore the theoretical value of the electric field gradient given by the SCF-X alpha-SW method is in agreement with the value deduced from quadrupole splittings by Mossbauer spectroscopy. This calculation can provide theoretical support for assignment of Fe species to Cu sites in high-T-c superconductors. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45139]  |
| 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 | WANG, YR,LU, KQ,WANG, DH,et al. THE EXAFS STUDY OF NANOCRYSTALLINE ZIRCONIA[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,1994,6(3):633. |
| APA | WANG, YR,LU, KQ,WANG, DH,WU, ZH,&Fang, ZZ.(1994).THE EXAFS STUDY OF NANOCRYSTALLINE ZIRCONIA.JOURNAL OF PHYSICS-CONDENSED MATTER,6(3),633. |
| MLA | WANG, YR,et al."THE EXAFS STUDY OF NANOCRYSTALLINE ZIRCONIA".JOURNAL OF PHYSICS-CONDENSED MATTER 6.3(1994):633. |
入库方式： OAI收割
来源：物理研究所
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