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Nanoscale electronic inhomogeneity in FeSe$_{0.4}$Te$_{0.6}$ revealed through unsupervised machine learning

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 Added by Peter Wahl
 Publication date 2020
  fields Physics
and research's language is English




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We report on an apparent low-energy nanoscale electronic inhomogeneity in FeSe$_{0.4}$Te$_{0.6}$ due to the distribution of selenium and tellurium atoms revealed through unsupervised machine learning. Through an unsupervised clustering algorithm, characteristic spectra of selenium- and tellurium-rich regions are identified. The inhomogeneity linked to these spectra can clearly be traced in the differential conductance and is detected both at energy scales of a few electron volts as well as within a few millielectronvolts of the Fermi energy. By comparison with ARPES, this inhomogeneity can be linked to an electron-like band just above the Fermi energy. It is directly correlated with the local distribution of selenium and tellurium. There is no clear correlation with the magnitude of the superconducting gap, however the height of the coherence peaks shows significant correlation with the intensity with which this band is detected, and hence with the local chemical composition.



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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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When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with charge-density waves, and a debated low-temperature metallic state that seems to avoid the superconducting or insulating fate of standard two-dimensional electron systems. Some experiments also find a marked tendency to a negative electronic compressibility. We suggest that this indicates an inclination for electronic phase separation resulting in a nanoscopic inhomo- geneity. Although the mild modulation of the inhomogeneous landscape is compatible with a high electron mobility in the metallic state, this intrinsically inhomogeneous character is highlighted by the peculiar behaviour of the metal-to-superconductor transition. Modelling the system with super- conducting puddles embedded in a metallic matrix, we fit the peculiar resistance vs. temperature curves of systems like TiSe2, MoS2, and ZrNCl. In this framework also the low-temperature debated metallic state finds a natural explanation in terms of the pristine metallic background embedding non-percolating superconducting clusters. An intrinsically inhomogeneous character naturally raises the question of the formation mechanism(s). We propose a mechanism based on the interplay be- tween electrons and the charges of the gating ionic liquid.
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130 - M. Xu , Li-Min Wang , R. Peng 2013
With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe$_{1.23}$Te$_3$, which is a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is observed, indicating sizable inter-ladder hopping, which would facilitate the in-plane ferromagnetic ordering through double exchange interactions. Moreover, an energy gap is not observed at the Fermi surface in the antiferromagnetic state. Instead, the shifts of various bands have been observed. Combining these observations with density-functional-theory calculations, we propose that the large scale reconstruction of the electronic structure, caused by the interactions between the coexisting itinerant electrons and local moments, is most likely the driving force behind the magnetic transition. TaFe$_{1.23}$Te$_3$ thus provides a simpler system that contains similar ingredients as the parent compounds of iron-based superconductors, which yet could be readily modeled and understood.
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