Microscopic Modeling of Correlated Systems Under Pressure: Representative Examples

Borisov, Vladislav; Biswas, Sananda; Lu, Ying; Valentí, Roser

doi:10.1002/pssb.201900229

Cited by 8 publications

(4 citation statements)

References 171 publications

(432 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the other hand, the activation energy decreases to 0.06-0.08 eV in the pressure range above 20 kbar, be- ing the same order with those around 10 kbar. These values are far smaller than a half of the CT excitation energy [20] or the recently reported band gap, ∼0.35 eV [38], indicating the non-quasiparticle transport. The free NIDW excitations should be suppressed above 20 kbar far from the NI crossover pressure; thus, these results demonstrate the existence of another low-energy excitation carrier, that is, the soliton whose activation energy is theoretically predicted to be less than 0.1 eV [13].…”

contrasting

confidence: 52%

Experimental Verification of Charge Soliton Excitations in the Ionic Mott-Peierls Ferroelectric, TTF-CA

Takehara¹,

Adachi²,

Sunami³

et al. 2022

Preprint

View full text Add to dashboard Cite

Strong coupling of charge, spin, and lattice in solids brings about emergent elementary excitations with their intertwining and, in one dimension, solitons are known as such. The charge-transferred organic ferroelectric, TTF-CA, has been argued to host charge solitons; however, the existence of the charge solitons remains unverified. Here, we demonstrate that the charge-transport gap in the ionic Mott-Peierls insulating phase of TTF-CA is an order of magnitude smaller than expected from quasiparticle excitations, however, being entirely consistent with the charge soliton excitations. We further suggest that charge and spin solitons move with similar diffusion coefficients in accordance with their coexistence. These results provide a basis for the thermal excitations of the emergent solitons.

show abstract

contrasting

confidence: 52%

Experimental Verification of Charge Soliton Excitations in the Ionic Mott-Peierls Ferroelectric, TTF-CA

Takehara¹,

Adachi²,

Sunami³

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…Density functional theory (DFT) calculations were performed considering various basis sets [58]: the projector augmented-wave (PAW) method for representation of core electrons [59,60] as implemented in the VASP code [61], the all-electron full-potential localized orbitals (FPLO) basis set code [62], and a full potential Green's function method within the multiple scattering theory [63]. Calculations were benchmarked with various codes.…”

Section: First-principles Calculationsmentioning

confidence: 99%

When superconductivity does not fear magnetism: Insight into electronic structure of RbEuFe$_{4}$As$_{4}$

Kim,

Pervakov,

Evtushinsky

et al. 2020

Preprint

View full text Add to dashboard Cite

In the novel stoichiometric iron-based material RbEuFe 4 As 4 superconductivity coexists with a peculiar long-range magnetic order of Eu 4f states. Using angle-resolved photoemission spectroscopy, we reveal a complex three dimensional electronic structure and compare it with density functional theory calculations. Multiple superconducting gaps were measured on various sheets of the Fermi surface. High resolution resonant photoemission spectroscopy reveals magnetic order of the Eu 4f states deep into the superconducting phase. Both the absolute values and the anisotropy of the superconducting gaps are remarkably similar to the sibling compound without Eu, indicating that Eu magnetism does not affect the pairing of electrons. A complete decoupling between Fe-and Eu-derived states was established from their evolution with temperature, thus unambiguously demonstrating that superconducting and a long range magnetic orders exist independently from each other. The established electronic structure of RbEuFe 4 As 4 opens opportunities for the future studies of the highly unorthodox electron pairing and phase competition in this family of iron-based superconductors with doping.

show abstract

“…(See also refs. [22,23] for further information). f) Schematic view on the forces on the surfaces of a sample, which are associated with hydrostatic (top) and uniaxial (bottom) pressure on a crystal lattice (which, for simplicity, is represented by the cube).…”

Section: Introductionmentioning

confidence: 99%

Hydrostatic and Uniaxial Pressure Tuning of Iron‐Based Superconductors: Insights into Superconductivity, Magnetism, Nematicity, and Collapsed Tetragonal Transitions

Gati

Bud’ko

et al. 2020

Annalen der Physik

View full text Add to dashboard Cite

Iron-based superconductors are well-known for their intriguing phase diagrams, which manifest a complex interplay of electronic, magnetic, and structural degrees of freedom. Among the phase transitions observed are superconducting, magnetic, and several types of structural transitions, including a tetragonal-to-orthorhombic and a collapsed-tetragonal transition. In particular, the widely observed tetragonal-to-orthorhombic transition is believed to be a result of an electronic order that is coupled to the crystalline lattice and is, thus, referred to as nematic transition. Nematicity is therefore a prominent feature of these materials, which signals the importance of the coupling of electronic and lattice properties. Correspondingly, these systems are particularly susceptible to tuning via pressure (hydrostatic, uniaxial, or some combination). Efforts to probe the phase diagrams of pressure-tuned iron-based superconductors are reviewed with a strong focus on recent insights into the phase diagrams of several members of this material class under hydrostatic pressure. These studies on FeSe, Ba(Fe 1−x Co x) 2 As 2 , Ca(Fe 1−x Co x) 2 As 2 , and CaK(Fe 1−x Ni x) 4 As 4 are, to a significant extent, made possible by advances of what measurements can be adapted to their use under differing pressure environments. The potential impact of these tools for the study of the wider class of strongly correlated electron systems is pointed out.

show abstract

Microscopic Modeling of Correlated Systems Under Pressure: Representative Examples

Cited by 8 publications

References 171 publications

Experimental Verification of Charge Soliton Excitations in the Ionic Mott-Peierls Ferroelectric, TTF-CA

Experimental Verification of Charge Soliton Excitations in the Ionic Mott-Peierls Ferroelectric, TTF-CA

When superconductivity does not fear magnetism: Insight into electronic structure of RbEuFe$_{4}$As$_{4}$

Hydrostatic and Uniaxial Pressure Tuning of Iron‐Based Superconductors: Insights into Superconductivity, Magnetism, Nematicity, and Collapsed Tetragonal Transitions

Contact Info

Product

Resources

About