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Register a new userDiscovery of a strain-stabilised smectic electronic order in LiFeAs
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In many high temperature superconductors, small orthorhombic distortions of the lattice structure result in surprisingly large symmetry breaking of the electronic states and macroscopic properties, an effect often referred to as nematicity. To directly study the impact of symmetry-breaking lattice distortions on the electronic states, using low-temperature scanning tunnelling microscopy we image at the atomic scale the influence of strain-tuned lattice distortions on the correlated electronic states in the iron-based superconductor LiFeAs, a material which in its ground state is tetragonal, with four-fold ($C_4$) symmetry. Our experiments uncover a new strain-stabilised modulated phase which exhibits a smectic order in LiFeAs, an electronic state which not only breaks rotational symmetry but also reduces translational symmetry. We follow the evolution of the superconducting gap from the unstrained material with $C_4$ symmetry through the new nematic phase with two-fold ($C_2$) symmetry and charge-density-wave order to a state where superconductivity is completely suppressed.
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We address the question of the degree of spatial non-locality of the self energy in the iron-based superconductors, a subject which is receiving considerable attention. Using LiFeAs as a prototypical example, we extract the self energy from angular-resolved photoemission spectroscopy (ARPES) data. We use two distinct electronic structure references: density functional theory in the local density approximation and linearized quasiparticle self consistent GW (LQSGW). We find that with the LQSGW reference, spatially local dynamical correlations provide a consistent description of the experimental data, and account for some surprising aspects of the data such as the substantial out of plan dispersion of the electron Fermi surface having dominant xz/yz character. Hence, correlations effects can be separated into static non-local contributions well described by LQSGW and dynamical local contributions. Hall effect and resistivity data are shown to be consistent with this description.
Recent discoveries of charge order and electronic nematic order in the iron-based superconductors and cuprates have pointed towards the possibility of nematic and charge fluctuations playing a role in the enhancement of superconductivity. The Ba1-xSrxNi2As2 system, closely related in structure to the BaFe2As2 system, has recently been shown to exhibit both types of ordering without the presence of any magnetic order. We report single crystal X-ray diffraction, resistance transport measurements, and magnetization of BaSrLate, providing evidence that the previously reported incommensurate charge order with wavevector $(0,0.28,0)_{tet}$ in the tetragonal state of BaNi~vanishes by this concentration of Sr substitution together with nematic order. Our measurements suggest that the nematic and incommensurate charge orders are closely tied in the tetragonal state, and show that the $(0,0.33,0)_{tri}$ charge ordering in the triclinic phase of BaNi2As2 evolves to become $(0,0.5,0)_{tri}$ charge ordering at $x$=0.65 before vanishing at $x$=0.71.
We report neutron inelastic scattering measurements on the stoichiometric iron-based superconductor LiFeAs. We find evidence for (i) magnetic scattering consistent with strong antiferromagnetic fluctuations, and (ii) an increase in intensity in the superconducting state at low energies, similar to the resonant magnetic excitation observed in other iron-based superconductors. The results do not support a recent theoretical prediction of spin-triplet p-wave superconductivity in LiFeAs, and instead suggest that the mechanism of superconductivity is similar to that in the other iron-based superconductors.
We present a theoretical study of the effect of electron-electron interactions and Sr doping on the electronic structure of infinite-layer (Nd,Sr)NiO$_2$ using the density functional+dynamical mean-field theory approach. In particular, we explore the impact of epitaxial compressive strain that experience (Nd,Sr)NiO$_2$ films on the electronic properties, magnetic correlations, and exchange couplings. Our results reveal the crucial importance of orbital-dependent correlation effects in the Ni $3d$ shell of Sr-doped NdNiO$_2$. Upon doping with Sr, it undergoes a Lifshitz transition which is accompanied by a reconstruction of magnetic correlations: For Sr $x<0.2$ (Nd,Sr)NiO$_2$ adopts the Neel $(111)$ antiferromagnetic (AFM) order, while for $x>0.2$ the $C$-type $(110)$ AFM sets in the unstrained (Nd,Sr)NiO$_2$, with a highly frustrated region at $x simeq 0.2$, all within DFT+DMFT at $T=290$ K. Our results for the Neel AFM at Sr $x=0$ suggest that AFM NdNiO$_2$ appears at the verge of a Mott-Hubbard transition, providing a plausible explanation for the experimentally observed weakly insulating behavior of NdNiO$_2$ for Sr $x<0.1$. We observe that the Lifshitz transition makes a change of the band structure character from electron- to hole-like with Sr $x$, in agreement with recent experiments. Our results for magnetic couplings demonstrate an unanticipated frustration of the Ni $3d$ magnetic moments, which suppresses magnetic order near Sr $x=0.2$. We find that the effect of frustration is maximal for Sr doping $x simeq 0.1-0.2$ that nearly corresponds to the experimentally observed doping value. We conclude that the in-plane strain adjusts a bandwidth of the Ni $x^2-y^2$ band, i.e., controls the effect of electron correlations in the Ni $x^2-y^2$ orbitals. The electronic properties of (Nd,Sr)NiO$_2$ reveal an anomalous sensitivity upon a change of the crystal structure parameters.
Electronic nematicity is an important order in most iron-based superconductors, and FeSe represents a unique example, in which nematicity disentangles from spin ordering. It is commonly perceived that this property arises from strong electronic correlation, which can not be properly captured by density functional theory (DFT). Here, we show that by properly considering the paramagnetic condition and carefully searching the energy landscape with symmetry-preconditioned wavefunctions, two nematic solutions stand out at either the DFT+$U$ or hybrid functional level, both of which are lower in energy than the symmetric solution. The ground-state band structure and Fermi surface can be well compared with the recent experimental results. Symmetry analysis assigns these two new solutions to the $B_{1g}$ and $E_u$ irreducible representations of the D$_{4h}$ point group. While the $B_{1g}$ Ising nematicity has been widely discussed in the context of vestigial stripe antiferromagnetic order, the two-component $E_u$ vector nematicity is beyond previous theoretical discussion. Distinct from the $B_{1g}$ order, the $E_u$ order features mixing of the Fe $d$-orbitals and inversion symmetry breaking, which lead to striking experimental consequences, e.g. missing of an electron pocket.
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