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Register a new userChiral spin texture in the charge-density-wave phase of the correlated metallic Pb/Si(111) monolayer
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We investigate the 1/3 monolayer $alpha$-Pb/Si(111) surface by scanning tunneling spectroscopy (STS) and fully relativistic first-principles calculations. We study both the high-temperature $sqrt{3}timessqrt{3}$ and low-temperature $3times 3$ reconstructions and show that, in both phases, the spin-orbit interaction leads to an energy splitting as large as $25%$ of the valence-band bandwidth. Relativistic effects, electronic correlations and Pb-substrate interaction cooperate to stabilize a correlated low-temperature paramagnetic phase with well-developed lower and upper Hubbard bands coexisting with $3times3$ periodicity. By comparing the Fourier transform of STS conductance maps at the Fermi level with calculated quasiparticle interference from non-magnetic impurities, we demonstrate the occurrence of two large hexagonal Fermi sheets with in-plane spin polarizations and opposite helicities.
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In this paper, the completed investigation of a possible superconducting phase in monolayer indium selenide is determined using first-principles calculations for both the hole and electron doping systems. The hole-doped dependence of the Fermi surface is exclusively fundamental for monolayer InSe. It leads to the extensive modification of the Fermi surface from six separated pockets to two pockets by increasing the hole densities. For low hole doping levels of the system, below the Lifshitz transition point, superconductive critical temperatures $T_c sim 55-75$ K are obtained within anisotropic Eliashberg theory depending on varying amounts of the Coulomb potential from 0.2 to 0.1. However, for some hole doping above the Lifshitz transition point, the combination of the temperature dependence of the bare susceptibility and the strong electron-phonon interaction gives rise to a charge density wave that emerged at a temperature far above the corresponding $T_c$. Having included non-adiabatic effects, we could carefully analyze conditions for which either a superconductive or charge density wave phase occurs in the system. In addition, monolayer InSe becomes dynamically stable by including non-adiabatic effects for different carrier concentrations at room temperature.
Single layer Pb on top of (111) surfaces of group IV semiconductors hosts charge density wave and superconductivity depending on the coverage and on the substrate. These systems are normally considered to be experimental realizations of single band Hubbard models and their properties are mostly investigated using lattice models with frozen structural degrees of freedom, although the reliability of this approximation is unclear. Here, we consider the case of Pb/Ge(111) at 1/3 coverage, for which surface X-ray diffraction and ARPES data are available. By performing first principles calculations, we demonstrate that the non-local exchange between Pb and the substrate drives the system into a $3times 3$ charge density wave. The electronic structure of this charge ordered phase is mainly determined by two effects: the magnitude of the Pb distortion and the large spin-orbit coupling. Finally, we show that the effect applies also to the $3times 3$ phase of Pb/Si(111) where the Pb-substrate exchange interaction increases the bandwidth by more than a factor 1.5 with respect to DFT+U, in better agreement with STS data. The delicate interplay between substrate, structural and electronic degrees of freedom invalidates the widespread interpretation available in literature considering these compounds as physical realizations of single band Hubbard models.
The quasi-one-dimensional chiral charge density wave (CDW) material (TaSe$_4$)$_2$I has been recently predicted to host Kramers-Weyl (KW) fermions which should exist in the vicinity of high symmetry points in the Brillouin zone in chiral materials with strong spin-orbit coupling. However, direct spectroscopic evidence of KW fermions is limited. Here we use helicity-dependent laser-based angle resolved photoemission spectroscopy (ARPES) in conjunction with tight-binding and first-principles calculations to identify KW fermions in (TaSe$_4$)$_2$I. We find that topological and symmetry considerations place distinct constraints on the (pseudo-) spin texture and the observed spectra around a KW node. We further reveal an interplay between the spin texture around the chiral KW node and the onset of CDW order in (TaSe$_4$)$_2$I. Our findings highlight the unique topological nature of (TaSe$_4$)$_2$I and provide a pathway for identifying KW fermions in other chiral materials.
A prototypical quasi-2D metallic compound, 1T-TaS_2 has been extensively studied due to an intricate interplay between a Mott-insulating ground state and a charge density-wave (CDW) order. In the low-temperature phase, 12 out of 13 Ta_{4+} 5textit{d}-electrons form molecular orbitals in hexagonal star-of-David patterns, leaving one 5textit{d}-electron with textit{S} = 1/2 spin free. This orphan quantum spin with a large spin-orbit interaction is expected to form a highly correlated phase of its own. And it is most likely that they will form some kind of a short-range order out of a strongly spin-orbit coupled Hilbert space. In order to investigate the low-temperature magnetic properties, we performed a series of measurements including neutron scattering and muon experiments. The obtained data clearly indicate the presence of the short-ranged phase and put the upper bound on ~ 0.4 textit{mu}_B for the size of the magnetic moment, consistent with the orphan-spin scenario.
We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):{C,Si,Sn,Pb} - ($sqrt{3} times sqrt{3}$). On the basis of all-electron density functional theory calculations we construct effective low-energy models taking into account spin-orbit coupling and electronic correlations. In the ground state the surface nanostructures are found to be insulators with the non-collinear 120$^{circ}$ Neel (for C, Si, Sn monolayer coverages) and 120$^{circ}$ row-wise (for Pb adatom) antiferromagnetic orderings. The corresponding spin Hamiltonians with anisotropic exchange interactions are derived by means of the superexchange theory and the calculated Dzyaloshinskii-Moriya interactions are revealed to be very strong and compatible with the isotropic exchange couplings in the systems with Sn and Pb adatoms. To simulate the excited magnetic states we solve the constructed spin models by means of the Monte Carlo method. At low temperatures and zero magnetic field we observe complex spin spiral patterns in Sn/Si(111) and Pb/Si(111). On this basis the formation of antiferromagnetic skyrmion lattice states in adatom $sp$ electron systems in strong magnetic fields is discussed.
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