Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userA minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3
109
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
We present a systematic derivation of a minimal five-band tight-binding model for the description of the electronic structure of the recently discovered quasi one-dimensional superconductor K2Cr3As3. Taking as a reference the density-functional theory (DFT) calculation, we use the outcome of a Lowdin procedure to refine a Wannier projection and fully exploit the predominant weight at the Fermi level of the states having the same symmetry of the crystal structure. Such states are described in terms of five atomic-like d orbitals: four planar orbitals, two dxy and two dx2-y2, and a single out-of-plane one, dz2 . We show that this minimal model reproduces with great accuracy the DFT band structure in a broad energy window around the Fermi energy. Moreover, we derive an explicit simplified analytical expression of such model, which includes three nearest-neighbor hopping terms along the z direction and one nearest-neighbor term within the xy plane. This model captures very efficiently the energy spectrum of the system and, consequently, can be used to study transport properties, superconductivity and dynamical effects in this novel class of superconductors.
rate research
Read More
We study the tight-binding dispersion of the recently discovered superconductor K2Cr3As3, obtained from Wannier projection of Density Functional Theory (DFT) results. In order to establish quantitatively the actual degree of quasi-one dimensionality of this compound, we analyze the electronic band structure for two reduced sets of hopping parameters: one restricted to the Cr-As tubes and another one retaining a minimal number of in-plane hoppings. The corresponding total and local density of states of the compound are also computed with the aim of assessing the tight-binding results with respect to the DFT ones. We find a quite good agreement with the DFT results for the more extended set of hopping parameters, especially for what concerns the orbitals that dominate at the Fermi level. Accordingly, we conclude that one cannot avoid taking into account in-plane hoppings up to the next-nearest-neighbors cells even only to describe correctly the Fermi surface cuts and the populations along the kz direction. Such a choice of a minimal number of hopping parameters directly reflects in the possibility of correctly describing correlations and magnetic interactions.
The superconducting state of the newly discovered superconductor K$_2$Cr$_3$As$_3$ with a quasi-one-dimensional crystal structure ($T_{bf c}sim$ 6 K) has been investigated by using magnetization and muon-spin relaxation or rotation ($mu$SR) measurements. Our analysis of the temperature dependence of the superfluid density obtained from the transverse field (TF) $mu$SR measurements fit very well to an isotropic $s$-wave character for the superconducting gap. Furthermore a similarly good fit can also be obtained using a $d$-wave model with line nodes. Our zero-field $mu$SR measurements do reveal very weak evidence of the spontaneous appearance of an internal magnetic field near the transition temperature, which might indicate that the superconducting state is not conventional. This observation suggests that the electrons are paired via unconventional channels such as spin fluctuations, as proposed on the basis of theoretical models of K$_2$Cr$_3$As$_3$. Furthermore, from our TF $mu$SR study the magnetic penetration depth $lambda_L$, superconducting carrier density $n_s$, and effective-mass enhancement $m^*$ have been estimated to be $lambda_L(0)$ = 454(4) nm, $n_s$ = 2.4$times$10$^{27}$ carriers/m$^3$, and $m^*$ = 1.75 $m_e$, respectively.
Half-metallicity in materials has been a subject of extensive research due to its potential for applications in spintronics. Ferromagnetic manganites have been seen as a good candidate, and aside from a small minority-spin pocket observed in La$_{2-2x}$Sr$_{1+2x}$Mn$_{2}$O$_{7}$ $(x=0.38)$, transport measurements show that ferromagnetic manganites essentially behave like half metals. Here we develop robust tight-binding models to describe the electronic band structure of the majority as well as minority spin states of ferromagnetic, spin-canted antiferromagnetic, and fully antiferromagnetic bilayer manganites. Both the bilayer coupling between the MnO$_2$ planes and the mixing of the $|x^2 - y^2>$ and $|3z^2 - r^2>$ Mn 3d orbitals play an important role in the subtle behavior of the bilayer splitting. Effects of $k_z$ dispersion are included.
A well-established way to find novel Majorana particles in a solid-state system is to have superconductivity arising from the topological electronic structure. To this end, the heterostructure systems that consist of normal superconductor and topological material have been actively explored in the past decade. However, a search for the single material system that simultaneously exhibits intrinsic superconductivity and topological phase has been largely limited, although such a system is far more favorable especially for the quantum device applications. Here, we report the electronic structure study of a quasi-one-dimensional (q1D) superconductor TaSe$_3$. Our results of angle-resolved photoemission spectroscopy (ARPES) and first-principles calculation clearly show that TaSe$_3$ is a topological superconductor. The characteristic bulk inversion gap, in-gap state and its shape of non-Dirac dispersion concurrently point to the topologically nontrivial nature of this material. The further investigations of the Z$_2$ indices and the topologically distinctive surface band crossings disclose that it belongs to the weak topological insulator (WTI) class. Hereby, TaSe$_3$ becomes the first verified example of an intrinsic 1D topological superconductor. It hopefully provides a promising platform for future applications utilizing Majorana bound states localized at the end of 1D intrinsic topological superconductors.
Here we report a pressure-induced reemergence of superconductivity in recently discovered superconductor K2Mo3As3, which is the first experimental case observed in quasi-one-dimensional superconductors. We find that, after full suppression of the ambient-pressure superconducting (SC-I) state at 8.7 GPa, an intermediary non-superconducting state sets in and prevails to the pressure up to 18.2 GPa, however, above this pressure a new superconducting (SC-II) state appears unexpectedly. High pressure x-ray diffraction measurements demonstrate that the pressure-induced dramatic change of the lattice parameter c contributes mainly to the emergence of the SC-II state. Combined with the theioretical calculations on band strcture, our results suggest that the reemergemce of superconductivity is associated with the change of the complicated interplay among different orbital electrons, driven by the pressure-induced unisotropic change of the lattice.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
