Investigation of correlation effects in FeSe and FeTe by LDA + U method

Abstract

Correlation effects are observed strong in Iron chalcogenides superconductors by experimental and theoretical investigations. We present a comparative study of the influence of Coulomb interaction and Hund's coupling in the electronic structure of FeSe and FeTe. The calculation is based on density functional theory (DFT) with local density approximation(LDA+U) framework employed in TB-LMTO ASA code. We found the correlation effects were orbital selective due to the strength of interorbital hybridization among different Fe-3d orbitals mediated via chalcogen (Se/Te-p) orbitals is different in both the compounds, however Coulomb interaction is screened significantly by Te-p bands in FeTe. Similarly the orbital section is different in both the compounds because of the difference in the chalcogen height.

References in corpus (27)

• Interface induced high temperature superconductivity in single unit-cell FeSe films on SrTiO3
• Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
• Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
• Tellurium substitution effect on superconductivity of the alpha-phase Iron Selenide
• Pressure evolution of low-temperature crystal structure and bonding of 37 K $T_c$ FeSe superconductor
• First-order magnetic and structural phase transitions in Fe${}_{1+y}$Se${}_x$Te${}_{1-x}$
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• Anion height dependence of Tc for the Fe-based superconductor
• Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency
• Theoretical evidence for strong correlations and incoherent metallic state in FeSe
• Hund's coupling key role in multi-orbital correlations
• Strong electron correlations in the normal state of FeSe0.42Te0.58
• Fermi surface topology and low-lying quasiparticle dynamics of parent Fe${}_{1+x}$Te/Se Superconductor by orbital-polarization resolved ARPES
• Fermi surface topology and low-lying quasiparticle structure of magnetically ordered Fe1+xTe
• Chalcogen-height dependent magnetic interactions and magnetic order switching in FeSe${}_x$Te${}_{1-x}$
• Isotropic superconducting gaps with enhanced pairing on electron Fermi surfaces in FeTe0.55Se0.45
• Effect of Fe excess on structural, magnetic and superconducting properties of single-crystalline Fe(1+x)Te(1-y)Se(y)
• Orbital Selectivity in Hund's metals: The Iron Chalcogenides
• Electronic structure of Fe1.04(Te0.66Se0.34)
• Tuning the superconducting and magnetic properties in Fe_ySe_0.25Te_0.75 by varying the Fe-content
• Disappearance of static magnetic order and evolution of spin fluctuations in Fe${}_{1+\delta }$Se${}_x$Te${}_{1-x}$
• Measurement of Coherent Polarons in the Strongly Coupled Antiferromagnetically Ordered Iron-Chalcogenide Fe1.02Te using Angle-Resolved Photoemission Spectroscopy
• Electron correlation in FeSe superconductor studied by bulk-sensitive photoemission spectroscopy
• Evolution from incoherent to coherent electronic states and its implications to superconductivity in FeTe1-xSex
• Electronic Structure of Superconducting FeSe Studied by High-Resolution Photoemission Spectroscopy
• High-energy pseudogap in degenerate Hubbard model induced via Hund coupling
• Photoemission studies of the near Fermi level spectral weight shifts in FeSe1-xTex superconductor

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