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Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors

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 Added by Benjamin Frandsen
 Publication date 2014
  fields Physics
and research's language is English




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Understanding the role played by broken symmetry states such as charge, spin, and orbital orders in the mechanism of emergent properties such as high-temperature superconductivity (HTSC) is a major current topic in materials research. That the order may be within one unit cell, such as nematic, was only recently considered theoretically, but its observation in the iron-pnictide and doped cuprate superconductors places it at the forefront of current research. Here we show that the recently discovered BaTi$_2$Sb$_2$O superconductor and its parent compound BaTi$_2$As$_2$O form a symmetry-breaking nematic ground state that can be naturally explained as an intra-unit-cell charge order with $d$-wave symmetry, pointing to the ubiquity of the phenomenon. These findings, together with the key structural features in these materials being intermediate between the cuprate and iron-pnictide HTSC materials, render the titanium oxypnictides an important new material system to understand the nature of nematic order and its relationship to superconductivity.



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A family of titanium oxypnictide materials BaTi2Pn2O (Pn = pnictogen) becomes superconducting when a charge and/or spin density wave is suppressed. With hole doping, isovalent doping and pressure, a whole range of tuning parameters is available. We investigate how charge doping controls the superconducting transition temperature Tc. To this end, we use experimental crystal structure data to determine the electronic structure and Fermi surface evolution along the doping path. We show that a naive approach to calculating Tc via the density of states at the Fermi level and the McMillan formula systematically fails to yield the observed Tc variation. On the other hand, spin fluctuation theory pairing calculations allow us to consistently explain the Tc increase with doping. All alkali doped materials Ba1-xAxTi2Sb2O (A = Na, K, Rb) are described by a sign-changing s-wave order parameter. Susceptibilities also reveal that the physics of the materials is controlled by a single Ti 3d orbital.
In a multiorbital model of the cuprate high-temperature superconductors soft antiferromagnetic (AF) modes are assumed to reconstruct the Fermi surface to form nodal pockets. The subsequent charge ordering transition leads to a phase with a spatially modulated transfer of charge between neighboring oxygen p_x and p_y orbitals and also weak modulations of the charge density on the copper d_{x^2-y^2} orbitals. As a prime result of the AF Fermi surface reconstruction, the wavevectors of the charge modulations are oriented along the crystalline axes with a periodicity that agrees quantitatively with experiments. This resolves a discrepancy between experiments, which find axial order, and previous theoretical calculations, which find modulation wavevectors along the Brillouin zone (BZ) diagonal. The axial order is stabilized by hopping processes via the Cu4s orbital, which is commonly not included in model analyses of cuprate superconductors.
Within the complex phase diagram of the hole-doped cuprates, seizing the nature of the mysterious pseudo-gap phase is essential to unravel the microscopic origin of high-temperature superconductivity. Below the pseudo-gap temperature $rm T^{star}$, evidences for intra-unit-cell orders breaking the 4-fold rotation symmetry have been provided by neutron diffraction and scanning tunneling spectroscopy. Using polarized neutron diffraction on a detwinned $rm YBa_2Cu_3O_{6.6}$ sample, we here report a distinct a-b anisotropy of the intra-unit-cell magnetic structure factor below $rm T^{star}$, highlighting that intra-unit-cell order in this material breaks the mirror symmetry of the CuO$_2$ bilayers. This is likely to originate from a crisscrossed arrangement of loop currents within the $rm CuO_2$ bilayer, resulting in a bilayer mean toroidal axis along the $rm {bf b}$ direction.
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In order to identify the mechanism responsible for the formation of charge-density waves (CDW) in cuprate superconductors, it is important to understand which aspects of the CDWs microscopic structure are generic and which are material-dependent. Here, we show that, at the local scale probed by NMR, long-range CDW order in YBa2Cu3Oy is unidirectional with a commensurate period of three unit cells (lambda = 3b), implying that the incommensurability found in X-ray scattering is ensured by phase slips (discommensurations). Furthermore, NMR spectra reveal a predominant oxygen character of the CDW with an out-of-phase relationship between certain lattice sites but no specific signature of a secondary CDW with lambda = 6b associated with a putative pair-density wave. These results shed light on universal aspects of the cuprate CDW. In particular, its spatial profile appears to generically result from the interplay between an incommensurate tendency at long length scales, possibly related to properties of the Fermi surface, and local commensuration effects, due to electron-electron interactions or lock-in to the lattice.
188 - C. Hess , A. Kondrat , A. Narduzzo 2009
We present the first comprehensive derivation of the intrinsic electronic phase diagram of the iron-oxypnictide superconductors in the normal state based on the analysis of the electrical resistivity $rho$ of both LaFeAsO$_{1-x}$F$_x$ and SmFeAsO$_{1-x}$F$_x$ for a wide range of doping. Our data give clear-cut evidence for unusual normal state properties in these new materials. In particular, the emergence of superconductivity at low doping levels is accompanied by distinct anomalous transport behavior in $rho$ of the normal state which is reminiscent of the spin density wave (SDW) signature in the parent material. At higher doping levels $rho$ of LaFeAsO$_{1-x}$F$_x$ shows a clear transition from this pseudogap-like behavior to Fermi liquid-like behavior, mimicking the phase diagram of the cuprates. Moreover, our data reveal a correlation between the strength of the anomalous features and the stability of the superconducting phase. The pseudogap-like features become stronger in SmFeAsO$_{1-x}$F$_x$ where superconductivity is enhanced and vanish when superconductivity is reduced in the doping region with Fermi liquid-like behavior.
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