ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献

卢成; 王丽; 卢志文; 宋海珍; 李根全

物理学报

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卢成, 王丽, 卢志文, 宋海珍, 李根全. 2011: ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献, 物理学报, 60(8): 650-655.

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卢成, 王丽, 卢志文, 宋海珍, 李根全. 2011: ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献, 物理学报, 60(8): 650-655.

2011: Local lattice structure and spin singlet contribution to zero-field splitting of ZnS：Cr^2＋, Acta Physica Sinica, 60(8): 650-655.

Citation:

2011: Local lattice structure and spin singlet contribution to zero-field splitting of ZnS：Cr^2＋, Acta Physica Sinica, 60(8): 650-655.

ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献

南阳师范学院物理与电子工程学院,南阳,473061

Local lattice structure and spin singlet contribution to zero-field splitting of ZnS：Cr^2＋

摘要: 在统一配体场耦合图像的基础上,构造了d4电子组态过渡金属离子在强场图像下包括所有自旋状态的210×210维完全能量矩阵.通过对角化完全能量矩阵,研究了Cr2＋掺杂ZnS的局域晶格结构和Jahn-Teller能.理论计算结果与实验值符合非常好.同时,还研究了Cr2＋掺杂ZnS后体系自旋单态对零场分裂参量的贡献.结果表明：自旋单态对二阶零场分裂参量D的贡献可以忽略,但是对于四阶零场分裂参量a和F的贡献却不能忽略.
- ZnS：Cr2+ /
- 统一配体场耦合 /
- 自旋单态 /
- Jahn-Teller能
Abstract: Using the unified ligand-field-coupling scheme,the 210×210 complete energy matrices including all the spin states for d4 configuration transition metal ions are constructed within a strong field representation.By diagonalizing the complete energy matrices,the local lattice structure and the Jahn-Teller energy of Cr2＋ ions doped into ZnS are investigated.It is found that the theoretical results are in good agreement with the experimental data.Moreover,the contribution of the spin singlet to the zero-field splitting （ZFS） parameter of Cr2＋ ions doped into ZnS is also investigated.The results indicate that the spin singlet contribution to ZFS parameter D is negligible,but the contribution to ZFS parameters a and F may not be neglected.

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ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献

南阳师范学院物理与电子工程学院,南阳,473061

关键词:

摘要: 在统一配体场耦合图像的基础上,构造了d4电子组态过渡金属离子在强场图像下包括所有自旋状态的210×210维完全能量矩阵.通过对角化完全能量矩阵,研究了Cr2＋掺杂ZnS的局域晶格结构和Jahn-Teller能.理论计算结果与实验值符合非常好.同时,还研究了Cr2＋掺杂ZnS后体系自旋单态对零场分裂参量的贡献.结果表明：自旋单态对二阶零场分裂参量D的贡献可以忽略,但是对于四阶零场分裂参量a和F的贡献却不能忽略.

English Abstract

Local lattice structure and spin singlet contribution to zero-field splitting of ZnS：Cr^2＋

南阳师范学院物理与电子工程学院,南阳,473061

Keywords:

Abstract: Using the unified ligand-field-coupling scheme,the 210×210 complete energy matrices including all the spin states for d4 configuration transition metal ions are constructed within a strong field representation.By diagonalizing the complete energy matrices,the local lattice structure and the Jahn-Teller energy of Cr2＋ ions doped into ZnS are investigated.It is found that the theoretical results are in good agreement with the experimental data.Moreover,the contribution of the spin singlet to the zero-field splitting （ZFS） parameter of Cr2＋ ions doped into ZnS is also investigated.The results indicate that the spin singlet contribution to ZFS parameter D is negligible,but the contribution to ZFS parameters a and F may not be neglected.

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ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献

Local lattice structure and spin singlet contribution to zero-field splitting of ZnS：Cr^2＋

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ZnS：Cr^2＋中局域晶格结构和自旋单态对零场分裂参量的贡献

English Abstract

Local lattice structure and spin singlet contribution to zero-field splitting of ZnS：Cr^2＋

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