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Results for “Jahn-Teller effect”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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16 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

An EPR investigation of the dynamic Jahn-Teller effect in SrCl2:y(2 plus) and SrCl2:Sc(2 plus)

EPR spectra have been observed for SrCl2:Y(2+) and SrCl2:Sc(2+) at liquid helium temperatures. At 1.2 K the spectra were dominated by anisotropic hyperfine patterns whose lineshapes and angular dependences were explained using second order solutions of the effective Hamiltonian for an isolated 2Eg state split by large random internal strains. Pronounced asymmetries in some of the strin produced lineshapes for Srcl2:Sc(2+) are shown to result from second order terms in the solution of the effective Hamiltonian. Coexisting with the anisotropic hyperfine patterns are weak nearly isotropic hyperfine patterns with typical lineshapes. Variations in the apparent intensity of lines in these weak hyperfine patterns as functions of the applied magnetic field direction and temperature imply that these lines result from averaging by vibronic relaxation of a portion of the anisotropic pattern. The effective Hamiltonian parameters for SrCl2:La(2+), SrCl2:y(2+), and SrCl2:SC(2+) are analyzed in terms of crystal field theory modified to include a dynamic Jahn-Teller effect.

Herrington, J. R.↗
NASA NTRS1972

Observation of a quadrupole interaction for cubic imperfections exhibiting a dynamic Jahn-Teller effect.

The observation and interpretation of weak EPR transitions, identified as 'forbidden' transitions, establish the existence of a new type of quadrupole interaction for cubic-symmetry imperfections. This interaction is simply a consequence of the ground-vibronic-state degeneracy. The signs as well as the magnitudes of the quadrupole-coupling coefficients are determined experimentally. These data agree well with the predictions of crystal field theory modified to account for a weak-to-moderate vibronic interaction (i.e., a dynamic Jahn-Teller effect).

Herrington, J. R.↗
NASA NTRS1996

Lattice Distortion, Polaron Conduction, and Jahn-Teller Effect on teh Magnetoresistance of La(sub 0.7)Ca(sub 0.5)CoO(sub 3) Epitaxial Films

In summary, we have investigated the role of lattice distortion, polaron conduction and Jahn-Teller coupling in the occurrence of the colossal negative magnetoresistance in perovskite oxides. We conclude that larger lattice distortion gives rise to larger zero-field resistivity and larger magnitude of negative magnetoresistance.

colossal negative magnetoresistance CMR lattice di↗
NASA NTRS1982

Proton NMR studies of the electronic structure of ZrH/sub x/

The proton spin lattice relaxation times and Knight shifts were measured in f.c.c. (delta-phase) and f.c.t. (epsilon-phase) ZrH/sub x/ for 1.5 or = to x or = to 2.0. Both parameters indicate that N(E/sub F/) is very dependent upon hydrogen content with a maximum occurring at ZrH1 83. This behavior is ascribed to modifications in N(E/sub F/) through a fcc/fct distortion in ZrH/sub x/ associated with a Jahn-Teller effect.

Attalla, A.↗
NASA NTRS1992

Vibronic spectra of Cu(2+) in ZnTe

Infrared-absorption spectra of substitutional Cu(2+) ions in ZnTe have been measured at 4.6 K. Several distinct absorption peaks are observed between 800 and 2000/cm. Absorption peaks at 1002 and 1069/cm are identified as zero-phonon lines arising from 2T2-2E transitions. Between 1069 and 2000/cm, several sets of sharp absorption lines are seen to recur regularly at an interval of 210/cm, corresponding to the LO phonon energy. Within each set distinct vibronic sidebands that cannot be identified with critical-point energies of TA, LA, TO or LO phonon modes are observed. A dynamic Jahn-Teller effect, involving coupling between a single-phonon mode and the electronic states of the 2E level, is proposed to account for the observed spectra.

Volz, M. P.↗
NASA NTRS2001

Electron-Impact Ionization of Methane

We report a study of the total ionization of CH_4 by electron impact and its dissociative ionization from the ^2T_2 channel. The calculation of the total ionization cross section uses the improved Binary-Encounter-Dipole model (iBED).(W. A Huo, Phys. Rev. A (submitted for publication).) The dipole Born cross section in the model is expressed in terms of a three-term representation and the optical oscillator strengths are taken from Backx and Van der Wiel.(C. Backx and M. J. Van der Wiel, I Phys. B 18) 3020 (1975). The nuclear dynamics for the dissociation of the ^2T_2 channel is studied using the statistical model. A search of the potential energy surface of the ^2T_2 state of CH_4^+ shows two minima, of C_2v and C_3v symmetries, in agreement with earlier calculations. ((a) K. Takeshita, J. Chem. Phys. 86), 329 (1987). (b) R. F. Frey and E. R. Davidson, J. Chem. Phys. 88, 1775 (1988). The dissociation of the CH_4^+ to CH_3^+ + H goes through a saddle point. Comparison with recent experimental data will be presented and the role of Jahn-Teller effect discussed.

Huo, Winifred M.↗
NASA NTRS1996

Effects of Lattice Distortion and Jahn-Teller Coupling on the Magnetoresistance of La(sub 0.7)Ca(sub 0.3)MnO(sub 3) and La(sub 0.5)Ca(sub 0.5)CoO(sub 3) Epitaxial Films

Studies of La(sub 0.7)Ca(sub 0.3)MnO(sub 3) epitaxial films on substrates with a range of lattice constants reveal two dominant contributions to the occurence of colossal negative magnetoresistance (CMR) in these manganites:...We therefore suggest that lattice polaron conduction associated with Jahn-Teller coupling is essential for the occurence of CMR, and that lattice distortion further enhances the CMR effect in the manganites.

lattice distortion epitaxial films lattice polaron↗
NASA NTRS1977

Effect of temperature on the electronic instability and the crystalline phase change at low temperature of V3Si type compounds

Equations assuming a Jahn-Teller type effect for the d band electrons in V3Si compounds are given, and the results of free-energy change calculations by using some approximations based on these equations are depicted. The tetragonal structure is converted to cubic as the temperature rises past T sub m which is calculated as 13 K. by the Batterman-Barrett method and is measured to be 20-5 K. Other parameters such as change of C sub p with temperature are predicted better.

Labbe, J.↗
NASA NTRS1986

Ab initio study of the ground state surface of Cu3

The ground state surface of the metallic trimer Cu3 is investigated theoretically. Relativistic and correlation effects are taken into account in ab initio computations, which are calibrated against analogous computations for the 1Sigma(g)+ state of Cu2; the results are presented in tables and analyzed. The Cu3 ground state is found to have a 2B2 C(2v) structure with angle greater than 60 deg, lying 59/cm below a 2A1 C(2v) geometry and 280/cm below the D(3h) equilateral geometry. These findings are shown to be in good agreement with the experimental measurements of Rohlfing and Valentini (1986) and their analysis (in terms of a Jahn-Teller distortion of 2E-prime equilateral-triangle geometry) by Truhlar et al. (1986).

Langhoff, Stephen R.↗
NASA NTRS1996

Correlation of the Lattice Distortion and Polaron Conduction with the Physical Properties of La (sub 0.7)Ca(sub 0.3)MnO(sub 3) and La(sub 0.5)Ca(sub 0.5)CoO(sub 3) Epitaxial Films

The effects of lattice distortion on the physical properties of La (sub 0.7)Ca(sub 0.3)MnO(sub 3) and La(sub 0.5)Ca(sub 0.5)CoO(sub 3) films are investigated. Our results suggest that larger substrate-induced lattice distortion gives rise to larger zero-field resistivity and larger negative magnetoresistance.

lattice distortion epitaxial films lattice polaron↗