Global ETD Search
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Showing 1 to 9 of 9 for “"Jahn-Teller effect"”.
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An investigation by electron paramagnetic resonance of the Jahn-Teller effect in LiNbO₃¿:Cu²+
… composed of a doublet and singlet. Further, an effective Hamiltonian (call it Hamiltonian number 4) for defect association is also formulated. The eigenvalue problems for these four effective Hamiltonians are solved using perturbation techniques and their predictions are compared to the EPR …
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Magnetism, Structure and their Interactions
… electronic reason of this distortion is the band Jahn-Teller effect where the Jahn-Teller active states are 4d states of Rh which is accidently put at the Fermi level by spin splitting. Then, magnetic moment behavior under pressure in itinerant compounds is investigated in four cubic Laves phase …
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Investigating anharmonic effects in condensed matter systems
… presents work done on the calculation of the effects of anharmonic nuclear motion on the properties of solid materials from first principles. Such anharmonic effects can be significant in many cases. A vibrational self-consistent field (VSCF) method is used as the basis for these calculations, …
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High-accuracy electronic structure quantum Monte Carlo for molecular systems
… with an average 1% error. We have analyzed the effect of the method's main approximations on the estimate of the forces, both by theoretical arguments and by performing a variety of tests on small systems. Furthermore, we have used this newly developed method for estimating equilibrium …
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The crystal chemistry of hibonite: an indicator for oxygen fugacity during Solar nebula condensation?
… with the presence of Ti(3+) via (dynamic) Jahn-Teller effect. The peak broadening has been quantified using the autocorrelation method as well as introducing a new quantity defined as the "net peak height", which links the relative intensity of the different peaks to their width. The EELS …
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Synthesis-Structure-Property Relationships in Lead-Free Piezoelectric Materials
… (NBT-BT) for electromechanical effect. The new synthesis method starts with the synthesis of Na2Ti6O13 (NTO) whiskers which are then transformed into lead-free NBT-BT ceramics. Synthesis of NTO whiskers was performed using molten salt synthesis (MSS) method. Tape casting method …
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Synthesis, characterization and chemical vapor deposition of transition metal di(tert-butyl)amido compounds
… momentum contribution. It does not exhibit a Jahn-Teller distortion despite the expected doubly degenerate ground state. Applied field Mössbauer spectroscopy shows that the effective internal hyperfine field is unusually large, Hint = 105 T. The magnetic moments of Co[N(t-Bu)₂]₂ and …
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The thermodynamics, kinetics and modelling of fast-charging lithium-ion batteries featuring crystallographic shear niobium metal oxide anodes
… theory this was then related to enthalpic effects of relatively steeper potential regions due to progressively poorer charge-compensation and relatively poor shielding, but also relatively flatter potential regions related to metal-to-metal repulsion and pseudo Jahn-Teller effects at the …