Jahn-Teller effect and electron-phonon interaction in the 4 T2 g excited state of Cr3 + ion in K2 LiAlF6 crystal

N. M. Avram; M. G. Brik; C. N. Avram; I. Sildos; A. M. Reisz

doi:10.1016/j.ssc.2009.08.020

Jahn-Teller effect and electron-phonon interaction in the ⁴ T_{2 g} excited state of Cr^{3 +} ion in K₂ LiAlF₆ crystal

N. M. Avram^*
, M. G. Brik
, C. N. Avram
, I. Sildos
, A. M. Reisz

^*Šī darba korespondējošais autors

West University of Timisoara
Academy of Romanian Scientists
University of Tartu

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

5 Atsauces (Scopus)

Kopsavilkums

The electron-phonon coupling and Jahn-Teller effect in the first excited state ⁴ T_{2 g} of Cr³⁺ in K₂LiAlF₆ crystal (which has the potential for tunable solid-state lasers applications) are considered. The force constants for the a_1g and e_g normal modes are calculated with the FG matrix method for the octahedral [CrF₆]^3- cluster and the Huang-Rhys factors S_{a_1g} and S_{e_g} from the experimental value of the total Huang-Rhys factor and Stokes shift. Using these data, the changes of the metal-ligand bond lengths Δ x_eq, Δ y_eq = 0.072 Å (equatorial expansion) and Δ z_eq = - 0.015 Å (axial compression) were estimated. The Jahn-Teller stabilization energy has been evaluated from the contour plot of the ⁴ T_{2 g} electronic state potential energy surface. The obtained results are compared with those for other fluorides; the common trends are found and discussed.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	2070-2073
Lapu skaits	4
Žurnāls	Solid State Communications
Sējums	149
Izdevuma numurs	45-46
DOIs	https://doi.org/10.1016/j.ssc.2009.08.020
Publikācijas statuss	Publicēts - dec. 2009
Ārēji publicēts	Jā

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title = "Jahn-Teller effect and electron-phonon interaction in the 4 T2 g excited state of Cr3 + ion in K2 LiAlF6 crystal",

abstract = "The electron-phonon coupling and Jahn-Teller effect in the first excited state 4 T2 g of Cr3+ in K2LiAlF6 crystal (which has the potential for tunable solid-state lasers applications) are considered. The force constants for the a1g and eg normal modes are calculated with the FG matrix method for the octahedral [CrF6]3- cluster and the Huang-Rhys factors Sa1g and Seg from the experimental value of the total Huang-Rhys factor and Stokes shift. Using these data, the changes of the metal-ligand bond lengths Δ xeq, Δ yeq = 0.072 {\AA} (equatorial expansion) and Δ zeq = - 0.015 {\AA} (axial compression) were estimated. The Jahn-Teller stabilization energy has been evaluated from the contour plot of the 4 T2 g electronic state potential energy surface. The obtained results are compared with those for other fluorides; the common trends are found and discussed.",

keywords = "C. Point defects, D. Crystal and ligand fields, D. Electron-phonon interaction, D. Optical properties",

author = "Avram, \{N. M.\} and Brik, \{M. G.\} and Avram, \{C. N.\} and I. Sildos and Reisz, \{A. M.\}",

year = "2009",

month = dec,

doi = "10.1016/j.ssc.2009.08.020",

language = "English",

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journal = "Solid State Communications",

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TY - JOUR

T1 - Jahn-Teller effect and electron-phonon interaction in the 4 T2 g excited state of Cr3 + ion in K2 LiAlF6 crystal

AU - Avram, N. M.

AU - Brik, M. G.

AU - Avram, C. N.

AU - Sildos, I.

AU - Reisz, A. M.

PY - 2009/12

Y1 - 2009/12

N2 - The electron-phonon coupling and Jahn-Teller effect in the first excited state 4 T2 g of Cr3+ in K2LiAlF6 crystal (which has the potential for tunable solid-state lasers applications) are considered. The force constants for the a1g and eg normal modes are calculated with the FG matrix method for the octahedral [CrF6]3- cluster and the Huang-Rhys factors Sa1g and Seg from the experimental value of the total Huang-Rhys factor and Stokes shift. Using these data, the changes of the metal-ligand bond lengths Δ xeq, Δ yeq = 0.072 Å (equatorial expansion) and Δ zeq = - 0.015 Å (axial compression) were estimated. The Jahn-Teller stabilization energy has been evaluated from the contour plot of the 4 T2 g electronic state potential energy surface. The obtained results are compared with those for other fluorides; the common trends are found and discussed.

AB - The electron-phonon coupling and Jahn-Teller effect in the first excited state 4 T2 g of Cr3+ in K2LiAlF6 crystal (which has the potential for tunable solid-state lasers applications) are considered. The force constants for the a1g and eg normal modes are calculated with the FG matrix method for the octahedral [CrF6]3- cluster and the Huang-Rhys factors Sa1g and Seg from the experimental value of the total Huang-Rhys factor and Stokes shift. Using these data, the changes of the metal-ligand bond lengths Δ xeq, Δ yeq = 0.072 Å (equatorial expansion) and Δ zeq = - 0.015 Å (axial compression) were estimated. The Jahn-Teller stabilization energy has been evaluated from the contour plot of the 4 T2 g electronic state potential energy surface. The obtained results are compared with those for other fluorides; the common trends are found and discussed.

KW - C. Point defects

KW - D. Crystal and ligand fields

KW - D. Electron-phonon interaction

KW - D. Optical properties

UR - https://www.scopus.com/pages/publications/70349754418

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DO - 10.1016/j.ssc.2009.08.020

M3 - Article

AN - SCOPUS:70349754418

SN - 0038-1098

VL - 149

SP - 2070

EP - 2073

JO - Solid State Communications

JF - Solid State Communications

IS - 45-46

ER -