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Jacques R. Eone

Publications and source records attributed to Jacques R. Eone.

4 recordsLinked to original sources

Cooper pairing with the onsite exchange interaction: A possible mechanism of high-temperature superconductivity

Among the various mechanisms proposed for unconventional superconductivity, this paper focuses on the Coulomb interaction responsible for $d$-wave and $s\pm$-wave pairing symmetries in cuprates and iron pnictides. Although the effective interaction $U_\text{eff}=U-J$ is predominantly repulsive, an attractive component arising from the Hund's coupling parameter $J$ is sufficient to bind fractional charges. Evaluating this binding energy within a single-band Hubbard model yields a superconducting pairing gap $\Delta_0$ and estimates the transition temperature $T_c$. Given the complex electronic structure and vast compositional space of these materials, the model focuses exclusively on the doped superconducting plane hosting these fractional charges. Through this approach, an analytical expression dependent on the Hubbard $U$ and Hund $J$ parameters that accurately reproduces the superconducting dome is derived. Furthermore, the model successfully addresses the characteristic electron and hole doping asymmetry observed in cuprates by accounting for Hund's coupling parameters. Finally, while the theory accurately describes strange metal behavior, it currently provides only a qualitative explanation for the pseudogap phase and the underdoped isotope effect.

cond-mat.supr-con

A magnetic tight-binding model: correlations in ferromagnetic transition metals

Correlations derived through single-particle approximations of the many-body problem frequently result in erroneously inflated or diminished physical properties. In the context of transition metals, the impact of correlations can be assessed by analyzing the effect of the delocalized sp-band on the d-band. The tight-binding approach is studied in the d-band approximation, considering and excluding the influence of sp-d hybridization. The impact of the delocalized sp-band induces a correction to the onsite Coulomb parameter. This formalism enables an accurate description of the ferromagnetism within the tight-binding approximation. The onsite Coulomb corrections, which were calculated in accordance with first-principles results, are 1.3 eV for bcc iron, 1.5 eV for fcc cobalt, and 2.1 eV for fcc nickel.

cond-mat.mtrl-sci

A magnetic tight-binding model: surface properties of transition metals and cobalt nanoparticles

The magnetic and surface properties of some transition metals have been investigated within the tight-binding approximation, including Coulomb correlations. These surface properties are calculated after applying a charge neutrality rule that is restricted to the d-band. This formalism gives a charge distribution containing delocalized sp-states in agreement with a linear muffin-tin orbital calculation. It enables the description of local magnetism, surface energies, and work functions without recourse to the total energy. The present investigation is focused on the study of fcc cobalt, bcc iron, fcc nickel, and fcc platinum surfaces, as well as an exploration of fcc cobalt nanoparticles.

cond-mat.mtrl-sci

Tight-binding model: correction of the d-band approximation

The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation gives rise to incorrect surface energies, binding energies, and an inaccurate description of ferromagnetic transition metals. The present work compares the complexity of implementing corrections with the possibility of using an accurate sp-d approach. Basic force fields based on the second moment approximation continue to be utilized for the description of interactions in transition metals. In contrast, the present study proposes an elementary and more accurate interatomic potential based on hopping parameters depending on distances. The charge distribution and the Stoner model are also analyzed to provide appropriate corrections to the tight-binding picture used to describe ferromagnetic metals and alloys.

cond-mat.mtrl-sci