Triangular Mott-Hubbard Insulator Phases of Sn/Si(111) and Sn/Ge(111) Surfaces

Abstract

The ground state of Sn/Si(111) and Sn/Ge(111) surface $\alpha$-phases is reexamined theoretically, based on $ab-initio$ calculations where correlations are approximately included through the orbital dependence of the Coulomb interaction (in the local density + Hubbard U approximation). The effect of correlations is to destabilize the vertical buckling in Sn/Ge(111) and to make the surface magnetic, with a metal-insulator transition for both systems. This signals the onset of a stable narrow gap Mott-Hubbard insulating state, in agreement with very recent experiments. Antiferromagnetic exchange is proposed to be responsible for the observed $\Gamma$-point photoemission intensity, as well asfor the partial metallization observed above above 60 K in Sn/Si(111). Extrinsic metallization of Sn/Si(111) by, $e.g.$ alkali doping, could lead to a novel 2D triangular superconducting state of this and similar surfaces.

arXiv comment4 pages, 4 figures

References in corpus (12)

• Nonmagnetic Insulating States near the Mott Transitions on Lattices with Geometrical Frustration and Implications for $\kappa$-(ET)${}_2$Cu${}_2(CN{)}_3$
• Two spin liquid phases in the spatially anisotropic triangular Heisenberg model
• Charge density waves and surface Mott insulators for adlayer structures on semiconductors: extended Hubbard modeling
• Surface soft phonon and the root3 x root3 <--> 3 x 3 phase transition in Sn/Ge(111) and Sn/Si(111)
• Observation of a Mott insulating ground state for Sn/Ge(111) at low temperature
• The mechanism for the 3 x 3 distortion of Sn/ge (111)
• Disproportionation Phenomena on Free and Strained Sn/Ge(111) and Sn/Si(111) Surfaces
• SiC(0001): a surface Mott-Hubbard insulator
• Strongly Correlated Electrons on a Silicon Surface: Theory of a Mott Insulator
• Determination of the (3x3)-Sn/Ge(111) structure by photoelectron diffraction
• First Principles Calculations of Charge and Spin Density Waves of sqr3-Adsorbates on Semiconductors
• Spectral Function in Mott Insulating Surfaces

Cited by in corpus (32)

• Modeling friction: From nanoscale to mesoscale
• Long-range Coulomb interactions in surface systems: a first principles description within self-consistently combined GW and dynamical mean field theory
• Dynamical Screening Effects in Correlated Electron Materials -- A Progress Report on Combined Many-Body Perturbation and Dynamical Mean Field Theory: "GW+DMFT"
• Realization of a hole-doped Mott insulator on a triangular silicon lattice
• Superconductivity in a hole-doped Mott-insulating triangular adatom layer on a silicon surface
• What about U on Surfaces? - Extended Hubbard Models for Adatom Systems from First Principles
• Realistic modeling of the electronic structure and the effect of correlations for Sn/Si(111) and Sn/Ge(111) surfaces
• Mott phase in a van der Waals transition-metal halide at single layer limit
• Chiral spin texture in the charge-density-wave phase of the correlated metallic Pb/Si(111) monolayer
• Spin-orbit coupling and magnetic interactions in Si(111):{C,Si,Sn,Pb}
• Real-space cluster dynamical mean-field theory: Center focused extrapolation on the one- and two particle level
• Uncertainty principle for experimental measurements: Fast versus slow probes
• Correlation-driven charge order in a frustrated two-dimensional atom lattice
• Magnetic Dirac Fermions and Chern Insulator Supported on Pristine Silicon Surface
• Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)
• Low-Temperature Insulating Phase of the Si(111)--7$\times$7 Surface
• Zero-bias anomaly in nano-scale hole-doped Mott insulators on a triangular silicon surface
• Ferrimagnetic Slater Insulator Phase of the Sn/Ge(111) Surface
• Charge ordered phases in the hole-doped triangular Mott insulator 4Hb-TaS2
• Electronic correlation effects and Coulomb gap in the Si(111)-$(\sqrt{3}\times \sqrt{3})$-Sn surface
• Rashba-metal to Mott-insulator transition
• Atomic and electronic structure of doped Si(111)(2root3x2root3)R30(degrees)-Sn interfaces
• Charge density wave in single-layer Pb/Ge(111) driven by Pb-substrate exchange interaction
• Phonon-induced electronic relaxation in a strongly correlated system: the Sn/Si(111) $(\sqrt{3}\times \sqrt{3})$ adlayer revisited
• Experimental observation of pseudogap in a modulation-doped Mott insulator: Sn/Si(111)-($\sqrt{3}\times \sqrt{3}$)-R30${}^{\text{o}}$
• Magnetism and superconductivity in doped triangular-lattice Mott insulators
• Atomic structure of the single step and dynamics of Sn adatoms on the Si(111)-\sqrt{3}\times\sqrt{3}-Sn surface
• Electronic structure, spin-orbit interaction and electron-phonon coupling of triangular adatom lattices on semiconductor substrates
• The electronic structure of a doped Mott-Hubbard surface
• Real-Space Switching of Local Moments Driven by Quantum Geometry in Correlated Graphene Heterostructures
• Engineering correlated Dirac fermions and flat bands on SiC with transition-metal adatom lattices
• Topological Superconductivity in Sn/Si(111) driven by non-local Coulomb interactions