ENERGY SPECTRUM AND g FACTOR OF MgO:Ni2+ AND THEIR PRESSURE-INDUCED SHIFT

Ma, Dengke; Ma, Ning; Ma, Xiaodong; Zhang, Hongmei

doi:10.1016/s0022-3697(98)00052-3

Cited by 13 publications

(38 citation statements)

References 26 publications

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“…Therefore, its rate of PS is the smallest among the first four bands. As we have mentioned (e.g., see Refs [15] and [16]), the distinct differences of PS of various levels are immediately determined by characteristic dependencies on the interaction parameters. Now, we discuss the fifth absorption band.…”

Section: Physical Origins Of Gszfs Five Bands and Their Psmentioning

confidence: 82%

“…In fiefs [15] and [16], by taking into account both the central-field covalency mechanism of electron-cloud expansion and the symmetry-restricted covalency one, the expressions of £ and £' as functions of x were given as…”

Section: Expressions Of B C Dq £> £' S and /Zmentioning

confidence: 99%

“…where the value of / can be determined by fitting to experimental data; e in £ and £ 0 is approximately considered as unchanged with pressure. When the symmetry-restricted covalency mechanism plays the major role, / should be slightly larger than 1/2 (e.g., see Refs [15] and [16]). It is found in Refs [15], [16] and [27] that / = 0.6 can make very good agreement between calculated and observed results for the PS of the energy spectra and g values of MgO:Ni 2+ , a-Al 2 O 3 :Cr 3+ and a-Al 2 Os:Ni 2+ .…”

Section: Expressions Of B C Dq £> £' S and /Zmentioning

confidence: 99%

“…When the symmetry-restricted covalency mechanism plays the major role, / should be slightly larger than 1/2 (e.g., see Refs [15] and [16]). It is found in Refs [15], [16] and [27] that / = 0.6 can make very good agreement between calculated and observed results for the PS of the energy spectra and g values of MgO:Ni 2+ , a-Al 2 O 3 :Cr 3+ and a-Al 2 Os:Ni 2+ . In this work, therefore, / is taken as 0.6.…”

Section: Expressions Of B C Dq £> £' S and /Zmentioning

confidence: 99%

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Energy Spectrum and Its Pressure-Induced Shift and g Factor of ZnS:Mn ²⁺

Chen

et al. 2000

Commun. Theor. Phys.

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By using strong-field scheme, the complete d 5 energy matrix with D-n symmetry hits ' been constructed. Then, by dia.gona.liza.tion of this matrix at normal and various pressures, the whole energy spectrum [including the ground-state zero-field-splitting (GSZFS)], its PS and the g factor of the ground state for ZnS:Mn 2+ have uniformly been calculated. According to the eigenfunctions and PS, the new assignments of five absorption bands have been given. The variation of tetragonal field with pressure makes a main contribution to the pressureinduced shift (PS) of GSZFS of ZnS:Mn 2+ , which supports the existence of tetragonal Jahn-Teller distortion in ZnS:Mn 2+ . It is found that when P > 62 kbar, t\{ 3 Ti)e A Ti merges with t^e* 2 T2, which has to be taken into account in the calculation of PS of the fifth band in the range of 1 bar ~ 95 kbar. It is demonstrated that the Mn 2+ ions in ZnS:Mn 2+ have tetrahedral coordination, and the difference between £ and £' caused by the covalency effect is very important for GSZFS. The physical essentials of typical levels, GSZFS and their PS have been revealed. By taking into account the influence of covalency on t2^4A2)e 2 { 3 A2)*A\ and £J}( 2 E)e 2 ( 3 A2) 4 E, the position of the third absorption band at normal pressure has been estimated.

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Section: Physical Origins Of Gszfs Five Bands and Their Psmentioning

confidence: 82%

Section: Expressions Of B C Dq £> £' S and /Zmentioning

confidence: 99%

Section: Expressions Of B C Dq £> £' S and /Zmentioning

confidence: 99%

Section: Expressions Of B C Dq £> £' S and /Zmentioning

confidence: 99%

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Energy Spectrum and Its Pressure-Induced Shift and g Factor of ZnS:Mn ²⁺

Chen

et al. 2000

Commun. Theor. Phys.

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“…These levels may serve as a probe in the determination of absolute pressure coefficients of the conduction and valence band edges.I 1 ! Therefore, Schotz et al measured PS of the optical spectra for the d-d transition and charge transfer process of ZnS:Ni 2+ at 100 K under hydrostatic pressure up to 100 kbarJ 1 ' In Refs [2] and [3], we calculated PS of energy spectra of MgO:Ni 2+ and a-Al 2 O 3 :Ni 2+ and found that PS of all the levels of them are blue shifts. In this work, we will calculate the whole energy spectrum and optical spectra for d-d transitions of ZnS:Ni 2+ at normal pressure as well as their PS, which are remarkably different from the results of MgO:Ni 2+ and a-Al2O 3 :Ni 2+ .…”

Section: Introductionmentioning

confidence: 97%

The Pressure-Induced Shifts of Energy Spectra of ZnS:Ni ²⁺

Chen

2000

Commun. Theor. Phys.

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The calculations of the whole energy spectrum of ZnS:Ni 2+ at normal pressure and pressure-induced shifts of its levels have been carried out on the basis of the theory of pressure-induced shifts and the diagonalization of the complete d 8 energy matrix in a regular tetrahedral Geld. The calculated results are in very good agreement with experimental data at normal and high pressures. The comparison between the results of ZnS:Ni 2+ and MgO:Ni 2+ indicates that the covalency of ZnS:Ni 2+ is obviously stronger than the one of MgO:Ni 2+ ; the expansion of electron wavefunctions of ZnS:Ni 2+ under pressure is obviously larger than that of MgO:Ni 2+ ; and the pressure-induced shifts of levels of ZnS:Ni 2+ show strong nonlinearity.

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