Solution of Vibronic Equations. Tunneling Splitting

Берсукер, И. Б.; Polinger, V. Z.

doi:10.1007/978-3-642-83479-0_4

Cited by 2 publications

(1 citation statement)

References 89 publications

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“…The isotope effect generally occurs in a certain phase transition system, which is primarily linked to the factors including the zero-point energy, − amplitude of characteristic vibrations, electron–phonon coupling, − and tunneling effects . Extensive research attention has been devoted to both the normal and inverse isotope effects in superconductors, − , hydrogen-bonded ferroelectrics/antiferroelectrics, and other types of phase transition crystals ,,− owing to the phenomena facilitated by the phonon-assisted process.…”

Section: Introductionmentioning

confidence: 99%

Insight into Understanding the Inverse Isotope Effect in a One-Dimensional Spin-Peierls-Type Molecular Solid

Xu,

Gao,

Feng

et al. 2023

J. Phys. Chem. C

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A new deuterated spin-Peierls-type transition salt, bis-(maleonitriledithiolato)nickelate radical anion with a 1-N-(4′-vinyl-benzyl)pyridinium-d 5 nonmagnetic cation, was synthesized by replacing pyridine with pyridine-d 5 and characterized. The deuterated and hydrogen parent salts, denoted as V-Py-D and V-Py-H, are isomorphic in both high-and low-temperature phases (abbreviated as HTP and LTP), respectively. The phase transition temperature (T C ) of V-Py-D is ca. 204.8 K and lower than that of V-Py-H by 3.3 K, and this finding differs from that in other members of the R-Py-H/D (R = F, Cl, Br, I, CH 3 , and NO 2 ) family, where each deuterium salt exhibits a higher T C than its hydrogen counterpart. A correlation was observed between the T C and the overlap integral of two superimposed anions in an anionic stack in HTP across all members in this family, and the possible origin was investigated.

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Section: Introductionmentioning

confidence: 99%

Insight into Understanding the Inverse Isotope Effect in a One-Dimensional Spin-Peierls-Type Molecular Solid

Xu,

Gao,

Feng

et al. 2023

J. Phys. Chem. C

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Optical studies of the uniaxial stress-induced orbital alignment of the Cr2+ centers in KZnF3 single crystal

Nikitin

Gracheva

Зверев

et al. 2016

The Journal of Chemical Physics

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Observation of an intense optical linear dichroism arising in cubic KZnF3:Cr crystal at low temperatures under uniaxial stress applied along the four-fold axis is reported. Dichroism occurs in the range of the wide vibronic absorption band corresponding to (5)Eg → (5)T2g transition of the Cr(2+) ions. Strain dependences of the dichroism value were studied at the temperatures of 2.0 K, 4.2 K, and 77 K. We associate our observations with the Jahn-Teller effect in the (5)Eg ground state of the Cr(2+) ion. The model is proposed based on a redistribution of the centers between the minima of the E⨂e problem adiabatic potential that become inequivalent under uniaxial stress applied along the four-fold axis of the crystal. It is shown that random strains in the sample have to be taken into account to achieve the quantitative agreement of the model predictions with experimental data. It is found that random strains in the studied sample originate predominantly from point defects. Obtained parameter values are inversion splitting δ = 9.2 ± 1.6 cm(-1), electron-strain coupling constant qVES = 16 500 ± 600 cm(-1), width of the random strain distribution w = (6.9 ± 0.5) ⋅ 10(-5). It is shown also that the minima of the [CrF6](4-) cluster adiabatic potential correspond to the elongated along the four-fold axes configurations.

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Solution of Vibronic Equations. Tunneling Splitting

Cited by 2 publications

References 89 publications

Insight into Understanding the Inverse Isotope Effect in a One-Dimensional Spin-Peierls-Type Molecular Solid

Insight into Understanding the Inverse Isotope Effect in a One-Dimensional Spin-Peierls-Type Molecular Solid

Optical studies of the uniaxial stress-induced orbital alignment of the Cr2+ centers in KZnF3 single crystal

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