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The magnetic sublayers introduced by intercalation into the host transition-metal dichalcogenide (TMD) are known to produce various magnetic states. The magnetic sublayers and their magnetic ordering strongly modify the electronic coupling…
We investigate the superconducting gap structure in bilayer nickelates within a model where conduction bands of dx2-y2 symmetry coexist with localized d3z2-r2 spins. Strong interlayer coupling drives the local moments into a singlet ground…
The discovery of high-Tc superconductivity around 80K in bilayer nickelate La3Ni2O7 under high pressure has expanded the family of high-Tc superconductors above the nitrogen boiling temperature. Recent studies have further shown that…
The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we…
The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry and with doping is revealed. We investigate the correlated electronic structure of NdNiO$_2$ at lower temperatures and show that first-principles…
Motivated by the discovery of superconductivity in the infinite-layer nickelate family, we report an experimental endeavor to clean the surface of nickelate superconductor Pr0.8Sr0.2NiO2 films by Ar+ ion sputtering and subsequent annealing,…
The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator wire surfaces are…
Dirac nodal line semimetals represent a new state of quantum matters in which the electronic bands touch to form a closed loop with linear dispersion. Here, we report a combined study on ZrSiS by density functional theory calculation,…
The interplay of multiorbital physics and nonlocal self-energy effects is studied within an effective three-orbital model for the high-pressure normal state of superconducting bilayer nickelate La$_3$Ni$_2$O$_7$. The model is solved within…
Following the discovery of superconductivity in hole-doped NdNiO$_2$ infinite-layer thin films, extensive research has been conducted particularly to compare these materials with cuprates. Superconductivity has also been observed in…
High resolution angle-resolved photoemission measurements have been carried out on Sr2RuO4. We observe clearly two sets of Fermi surface sheets near the (\pi,0)-(0,\pi) line which are most likely attributed to the surface and bulk Fermi…
The intensive search for alternative non-cuprate high-transition-temperature ($T_c$) superconductors has taken a positive turn recently with the discovery of superconductivity in infinite layer nickelates. This discovery is expected to be…
We investigate the properties and the microscopic structure of superconductivity (SC), coexisting and sharing the common conducting band with density wave (DW). Such coexistence may take place when the nesting of the Fermi surface (FS) is…
Motivated by the report of superconductivity in bilayer La$_3$Ni$_2$O$_7$ at high pressure, we examine the interacting electrons in this system. First-principles many-body theory is utilized to study the normal-state electronic properties.…
The discovery of high-T$_c$ superconductor in Ruddlesden-Popper nickelate materials represented by La$_3$Ni$_2$O$_7$ has opened new directions in the quest for unconventional superconductivity. A central unresolved issue concerns the…
We present an effective two-band model for infinite-layer nickelates NdNiO$_2$ that consisting of a $d$ band centered at Ni site and an interstitial $s$-like band centered at Nd site. To the large extent of the wave functions, we find…
Understanding the electronic behavior of Ni$^{2+}$ in a square planar environment of oxygen is the key to unravel the origin of the recently discovered superconductivity in the hole doped nickelate Nd$_{0.8}$Sr$_{0.2}$NiO$_2$. To identify…
Using quasiparticle self-consistent $GW$ calculations we examined the electronic structure of LaNiO$_3$ and the LaNiO$_3$/LaAlO$_3$ superlattice. The effects of electron correlation in Ni-$d$ bands were reasonably well described without any…
We study Josephson junctions between a multi-band iron-pnictide Ba1-xNaxFe2As2 and conventional s-wave superconductors Nb and Cu/Nb bilayer. We observe that junctions with a Cu interlayer exhibit much larger IcRn, despite a weaker…
Conflicting theoretical scenarios for infinite-layer nickelate superconductors have been hotly debated, particularly regarding whether {only} a single Ni-3$d_{x^2-y^2}$ band is relevant at low energies besides electron pockets or whether…