Investigations on the spin Hamiltonian parameters and defect structure for the interstitial Mo5+ centre in TiO2

被引：21

作者：

Zhang, Zhi-Hong ^{[1
]}

Wu, Shao-Yi ^{[1
]}

Song, Bo-Tao ^{[1
]}

Hu, Xian-Fen ^{[1
]}

机构：

[1] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China

来源：

OPTIK | 2014年 / 125卷 / 18期

关键词：

Electron paramagnetic resonance; Defect structures; Mo5+; TiO2; ATOMIC SCREENING CONSTANTS; PARAMAGNETIC-RESONANCE; TEMPERATURE; RELAXATION; FILMS; NI3+; EPR;

D O I：

10.1016/j.ijleo.2014.05.009

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The spin Hamiltonian parameters, g factors gi (i=x, y, z) and the hyperfine structure constants A(i) for the interstitial Mo5+ centre in rutile TiO2 are quantitatively investigated from the perturbation formulas of these parameters for a 4d(1) ion in rhombically compressed octahedra. From the studies, the local compression parameter tau' (approximate to 0.024) and the rhombic distortion angle delta phi' (approximate to 1.74 degrees) around the impurity Mo5+ are smaller than the host values (approximate to 0.091 and 3.5 degrees). This means that the oxygen octahedron in the impurity centre has less rhombic distortion than that on the host interstitial site due to the Jahn-Teller effect and occupation of the impurity. The above local lattice distortion of the studied impurity centre is also discussed. (C) 2014 Elsevier GmbH. All rights reserved.

引用

页码：5221 / 5224

页数：4

共 50 条

[11] Calculations with the two-mechanism model for the spin-Hamiltonian parameters of Mo5+ ions in phosphate glasses
Feng, Wen-Lin
Xue, Ji-Yuan
[J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 2014, 385 : 160 - 162
[12] Theoretical studies of spin-Hamiltonian parameters of Mo5+ ion doped in K2SnCl6 crystal
Fang, Wang
Yang, Da-Xiao
Chen, Heng-Jie
Tang, Hai-Yan
[J]. PHYSICA B-CONDENSED MATTER, 2013, 429 : 24 - 27
[13] Defect model and spin-Hamiltonian parameters for the tetragonal Mo5+ and W5+ centers in Cs2ZrCI6 and Cs2HfCI6 crystals
Zheng, W. C.
Mei, Y.
Yang, W. Q.
[J]. PHILOSOPHICAL MAGAZINE, 2009, 89 (20) : 1621 - 1628
[14] AN ELECTRON-PARAMAGNETIC RESONANCE STUDY OF MO5+ PAIRS IN POLYCRYSTALLINE TIO2
MERIAUDEAU, P
CLERJAUD, B
CHE, M
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (20): : 3872 - 3876
[15] Theoretical investigations of the spin Hamiltonian parameters and defect structure for Pt3+ in MgO
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, China
不详
[J]. Defect Diffus. Forum, 1600, (71-76):
[16] MO5+ AND V4+ ELECTRON-PARAMAGNETIC-RES IN BROOKITE (TIO2)
GRUNIN, VS
RAZUMEENKO, MV
[J]. FIZIKA TVERDOGO TELA, 1980, 22 (08): : 2485 - 2488
[17] Theoretical investigations of spin-Hamiltonian parameters for Ru3+ ions in rutile (TiO2) crystal
He, Lv
Zheng, Wen-Chen
[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2009, 246 (01): : 170 - 172
[18] Investigations of the Spin-Hamiltonian Parameters and Defect Structure for the (TiO4)5− Tetrahedral Clusters in ZrSiO4: Ti3+ Crystal
Yang Mei
[J]. Applied Magnetic Resonance, 2023, 54 : 613 - 618
[19] Theoretical calculations of spin-Hamiltonian parameters for the rhombic-like Mo5+ centers in KTiOPO4 crystal
Mei Yang
Zheng Wen-Chen
Liu Hong-Gang
[J]. PHYSICA B-CONDENSED MATTER, 2013, 430 : 27 - 30
[20] Investigations of the Spin-Hamiltonian Parameters and Defect Structure for the (TiO4)5- Tetrahedral Clusters in ZrSiO4: Ti3+ Crystal
Mei, Yang
[J]. APPLIED MAGNETIC RESONANCE, 2023, 54 (06) : 613 - 618

← 1 2 3 4 5 →