利用电介质的平均能带模型计算了YBa2Cu3O7的化学键参数，得到Cu(1)—O键的平均共价性为0.406，Cu(2)—O键的平均共价性为0.276。应用化学环境因子计算了Fe：Y-123的穆斯堡尔同质异能位移，确定了57Fe在Y-123中的价态和占位情况。由电声子强度参数与共价性的关系说明了超导相中Cu(2)离子的重要性。
参考文献
| [1] | 梁敬魁;车广灿;陈小龙.高TC氧化物超导体系的相关学和晶体结构[M].北京:科学出版社,2002:171-186. |
| [2] | 马如璋;徐英庭.穆斯堡尔谱学[M].北京:科学出版社,2002:60-64. |
| [3] | Phillips J C .Ionicity in covalent crystals[J].Reviews of Modern Physics,1970,42:317-342. |
| [4] | Huheey J E.Inorg Chem[M].New York: Harper and Row,1983 |
| [5] | 黄昆;韩汝琦.固体物理学[M].北京:高等教育出版社,2002 |
| [6] | 张思远 .复杂晶体化学键研究[J].化学物理学报,2002,4(02):109-115. |
| [7] | XUE D F;ZHANG S Y .Structural analysis of nonlinearities of Ca4ReO(BO3)O3 (Re=La, Nd, Sm, Gd, Er, Y)[J].Applied Physics A:Materials Science and Processing,1999,68:57-61. |
| [8] | Wu ZJ;Zhang SY;Meng QB .Valences of Cu and Tl and chemical bond parameters in Tl sub(x)Ba sub(2)Cu sub(y)O sub(6+ delta ), Tl sub(2)Ba sub(2)CaCu sub(2)O sub(8), and Tl sub(2)Ba sub(2)Ca sub(2)Cu sub(3)O sub(10)[J].Physica, C. Superconductivity and its applications,1999(3):173-179. |
| [9] | 高发明,张思远.稀土-铁石榴石的共价极化行为对光谱和穆斯堡尔谱的影响[J].人工晶体学报,2000(02):138-142. |
| [10] | 高发明,张思远.3d过渡晶体化学键共价性和光谱位移研究[J].无机化学学报,2000(05):751-756. |
| [11] | 高发明 .共价极化对151Eu穆斯堡尔谱位移的影响[J].中国稀土学报,2002,18(04):375-378. |
| [12] | Wang X L;NANBA T;IKEZAWA M .Optical reflecticity of single crystals of YBa2Cu3O7-δ and ErBa2Cu3O7-δ[J].Japanese Journal of Applied Physics,1987,26(12):12023-12025. |
| [13] | Multani M .Ultra-stable high-precision Mssbauer spectroscopy of photochromic centers in Fe:SrTiO3[J].Materials Research Bulletin,1984,19:25-34. |
| [14] | SUHARAN S;JOHNSON C E;JONES D H .The charge state of Fe doped into YBa2Cu3O7-x[J].Solid State communications,1988,67(02):125-127. |
| [15] | Takano M;TAKEDA Y .Behavior of Fe impurity in YBa2Cu3Oy study by Mssbauer spectroscopy[J].Japanese Journal of Applied Physics,1987,26(11):L1862-L1864. |
| [16] | SEDYKH V;NASU S;FUJITA F E .Fe Mssbauer study on oxygen desorption of high-Tc Y-Ba-Cu oxide superconductor[J].Solid State communications,1988,67(11):1063-1067. |
| [17] | Qiu Z Q;DU Y W;WALKER J C .Magnetic ordering and superconducting in Fe-doped 1-2-3 compounds[J].Journal of Applied Physics,1988,64(10):5947-5949. |
| [18] | HELLWEGE K H.Landolt-Bornstein Nember Data and Functional Relationships in Science and Technology[M].New York:Springer-Verlag,1987:17a,17b. |
| [19] | Callanay J;杨顺华.固体量子理论[M].北京:科学出版社,2002 |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%