Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userEffect of doping and pressure on magnetism and lattice structure of Fe-based superconductors
174
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
Using first principles calculations, we analyze structural and magnetic trends as a function of charge doping and pressure in BaFe$_2$As$_2$, and compare to experimentally established facts. We find that density functional theory, while accurately reproducing the structural and magnetic ordering at ambient pressure, fails to reproduce some structural trends as pressure is increased. Most notably, the Fe-As bondlength which is a gauge of the magnitude of the magnetic moment, $mu$, is rigid in experiment, but soft in calculation, indicating residual local Coulomb interactions. By calculating the magnitude of the magnetic ordering energy, we show that the disruption of magnetic order as a function of pressure or doping can be qualitatively reproduced, but that in calculation, it is achieved through diminishment of $|mu|$, and therefore likely does not reflect the same physics as detected in experiment. We also find that the strength of the stripe order as a function of doping is strongly site-dependent: magnetism decreases monotonically with the number of electrons doped at the Fe site, but increases monotonically with the number of electrons doped at the Ba site. Intra-planar magnetic ordering energy (the difference between checkerboard and stripe orderings) and interplanar coupling both follow a similar trend. We also investigate the evolution of the orthorhombic distortion, $e=(a-b)/(a+b),$ as a function of $mu$, and find that in the regime where experiment finds a linear relationship, our calculations are impossible to converge, indicating that in density functional theory, the transition is first order, signalling anomalously large higher order terms in the Landau functional.
rate research
Read More
We investigate the electronic structure and the hole content in the copper-oxygen planes of Hg based high Tc cuprates for one to four CuO2 layers and hydrostatic pressures up to 15 GPa. We find that with the pressure-induced additional number of holes of the order of 0.05e the density of states at the Fermi level changes approximately by a factor of 2. At the same time the saddle point is moved to the Fermi level accompanied by an enhanced k_z dispersion. This finding explains the pressure behavior of Tc and leads to the conclusion that the applicability of the van Hove scenario is restricted. By comparison with experiment, we estimate the coupling constant to be of the order of 1, ruling out the weak coupling limit.
High-temperature cuprate superconductors have been known to exhibit significant pressure effects. In order to fathom the origin of why and how Tc is affected by pressure, we have recently studied the pressure effects on Tc adoptig a model that contains two cupper d-orbitals derived from first-principles band calculations, where the dz2 orbital is considere on top of the usually considered dx2-y2 orbital. In that paper, we have identified two origins for the Tc enhancement under hydrostatic pressure: (i) while at ambient pressure the smaller the hybridization of other orbital components the higher the Tc, an application of pressure acts to reduce the multiorbital mxing on the Fermi surface, which we call the orbital distillation effects, and (ii) the increase of the band width with pressure also contributes to the enhancement. In the present paper, we further elabolrate the two points. As for point (i), while the reduction of the apical oxygen height under pressure tends to increase the dz2 mixture, hence to lower Tc, here we show that this effect is strongly reduced in bi-layer materials due to the pyramidal coordination of oxygen atoms. As for point (ii), we show that the enhancement of Tc due to the increase in the band width is caused by the effect that the many-body renormalization arising from the self-energy is reduced.
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). We review efforts to probe the phase diagrams of pressure-tuned iron-based superconductors, with a strong focus on our own 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$_4$ were, to a significant extent, made possible by advances of what measurements can be adapted to the use under differing pressure environments. We point out the potential impact of these tools for the study of the wider class of strongly correlated electron systems.
We analyze antiferromagnetism and superconductivity in novel $Fe-$based superconductors within the itinerant model of small electron and hole pockets near $(0,0)$ and $(pi,pi)$. We argue that the effective interactions in both channels logarithmically flow towards the same values at low energies, {it i.e.}, antiferromagnetism and superconductivity must be treated on equal footings. The magnetic instability comes first for equal sizes of the two pockets, but looses to superconductivity upon doping. The superconducting gap has no nodes, but changes sign between the two Fermi surfaces (extended s-wave symmetry). We argue that the $T$ dependencies of the spin susceptibility and NMR relaxation rate for such state are exponential only at very low $T$, and can be well fitted by power-laws over a wide $T$ range below $T_c$.
we were able to develop a novel method to synthesize Fe-based oxypnictide superconductors. By using LnAs and FeO as the starting materials and a ball-milling process prior to solid-state sintering, Tc as high as 50.7 K was obtained with the sample of Sm 0.85Nd0.15FeAsO0.85F0.15 prepared by sintering at temperatures as low as 1173 K for times as short as 20 min.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
