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Sökning: WFRF:(Tsirkin S. S.)

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1.
  • Kramer, K. P., et al. (författare)
  • Band structure of overdoped cuprate superconductors: Density functional theory matching experiments
  • 2019
  • Ingår i: Physical Review B. - 2469-9969 .- 2469-9950. ; 99:22
  • Tidskriftsartikel (refereegranskat)abstract
    • A comprehensive angle-resolved photoemission spectroscopy study of the band structure in singlelayer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole-and electron-overdoped cuprate superconductors (La1.59Eu0.2Sr0.21CuO4, La1.77Sr0.23CuO4, Bi1.74Pb0.38Sr1.88CuO6+delta, Tl2Ba2CuO6+delta, and Pr1.15La0.7Ce0.15CuO4) have been studied with special focus on the bands with a predominately d-orbital character. Using a light polarization analysis, the e(g) and t(2g) bands are identified across these materials. A clear correlation between the d(3z2-r2) band energy and the apical oxygen distance d(A) is demonstrated. Moreover, the compound dependence of the d(x2-y2) band bottom and the t(2g) band top is revealed. A direct comparison to density functional theory (DFT) calculations employing hybrid exchange-correlation functionals demonstrates excellent agreement. We thus conclude that the DFT methodology can be used to describe the global band structure of overdoped single-layer cuprates on both the hole-and electron-doped side.
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2.
  • Schindler, Frank, et al. (författare)
  • Fractional corner charges in spin-orbit coupled crystals
  • 2019
  • Ingår i: Physical Review Research. - : AMER PHYSICAL SOC. - 2643-1564. ; 1:3
  • Tidskriftsartikel (refereegranskat)abstract
    • We study two-dimensional spinful insulating phases of matter that are protected by time-reversal and crystalline symmetries. To characterize these phases, we employ the concept of corner charge fractionalization: corners can carry charges that are fractions of even multiples of the electric charge. The charges are quantized and topologically stable as long as all symmetries are preserved. We classify the different corner charge configurations for all point groups, and match them with the corresponding bulk topology. For this we employ symmetry indicators and (nested) Wilson loop invariants. We provide formulas that allow for a convenient calculation of the corner charge from Bloch wave functions and illustrate our results using the example of arsenic and antimony monolayers. Depending on the degree of structural buckling, these materials can exhibit two distinct obstructed atomic limits. We present density functional theory calculations for open flakes to support our findings.
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