Antiferromagnetic superexchange mediated by a resonant surface state in Sn/Si(111)

Lee, J. H.; Ren, Xiaoyan; Jia, Yu; Cho, Jun-Hyung

doi:10.1103/physrevb.90.125439

Cited by 16 publications

(26 citation statements)

References 39 publications

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“…23) employed to describe the electronic relaxation. However, in our understanding, the opening of a gap in the HSE calculation should not be taken as evidence of the system being a Slater insulator, as claimed in previous work [19], due to the ambiguity in the assignment of many-particle interactions to the exchange or correlation part of the potential in a hybrid functional.…”

Section: Methodsmentioning

confidence: 69%

“…If applied with care, DFT calculations can already reveal salient features and allow us to address the various energy scales in the problem. While local or semi-local density functionals find the Sn/Si(111) ( √ 3 × √ 3) to be metallic, the HSE hybrid functional [21,22] correctly reproduces the insulating ground state [19]. Technically speaking, electronic correlations are treated in the HSE functional as part of the (screened) electronic exchange.…”

Section: Methodsmentioning

confidence: 99%

“…surface is a rowwise antiferromagnetic structure [9,19] in a (2 √ 3 × √ 3) supercell. This is supported by recent experimental studies using spin-selective photoemission [20], and forms the basis for the present study.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Phonon-induced electronic relaxation in a strongly correlated system: The Sn/Si(111) (3×3) adlayer revisited

Zahedifar

Kratzer

2019

Phys. Rev. B

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The ordered adsorbate layer Sn/Si(111) ( √ 3 × √ 3) with coverage of one third of a monolayer is considered as a realization of strong electronic correlation in surface physics. Our theoretical analysis shows that electronhole pair excitations in this system can be long-lived, up to several hundred nanoseconds, since the decay into surface phonons is found to be a highly non-linear process. We combine first-principles calculations with help of a hybrid functional (HSE06) with modeling by a Mott-Hubbard Hamiltonian coupled to phononic degrees of freedom. The calculations show that the Sn/Si(111) ( √ 3 × √ 3) surface is insulating and the two Sn-derived bands inside the substrate band gap can be described as the lower and upper Hubbard band in a Mott-Hubbard model with U = 0.75 eV. Furthermore, phonon spectra are calculated with particular emphasis on the Sn-related surface phonon modes. The calculations demonstrate that the adequate treatment of electronic correlations leads to a stiffening of the wagging mode of neighboring Sn atoms; thus, we predict that the onset of electronic correlations at low temperature should be observable in the phonon spectrum, too. The deformation potential for electron-phonon coupling is calculated for selected vibrational modes and the decay rate of an electron-hole excitation into multiple phonons is estimated, substantiating the very long lifetime of these excitations.

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Section: Methodsmentioning

confidence: 69%

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Phonon-induced electronic relaxation in a strongly correlated system: The Sn/Si(111) (3×3) adlayer revisited

Zahedifar

Kratzer

2019

Phys. Rev. B

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“…However, the contrary is the case: The LDA bandwidth of ∼0.50 eV in Sn/Si shrinks to ∼0.29 eV in Sn/SiC. This highlights the prominent role of the substrate and indicates that indirect hopping through it must be considered, as noted for Si(111) [20]. The low effective hopping across SiC relates to its higher "chemical inertia" compared to Si and Ge, owed to a partly ionic character (different electronegativities of Si and C), where the adatom-substrate hybridization is much reduced (see the charge contour in Fig.…”

mentioning

confidence: 68%

“…Strong NNN hopping is vital to explain the collinear AFM ordering of Sn=Sið111Þ in the presence of Coulomb interactions [3]. A DFT study in large supercells for that system [20], including substrate interaction with NNN hopping, likewise finds collinear AFM.…”

mentioning

confidence: 90%

Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate

Glass

Adler

et al. 2015

Phys. Rev. Lett.

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Two-dimensional (2D) atom lattices provide model setups with Coulomb correlations that induce competing ground states. Here, SiC emerges as a wide-gap substrate with reduced screening. We report the first artificial high-Z atom lattice on SiC(0001) by Sn adatoms, based on experimental realization and theoretical modeling. Density-functional theory of our triangular structure model closely reproduces the scanning tunneling microscopy. Photoemission data show a deeply gapped state (∼2 eV gap), and, based on our calculations including dynamic mean-field theory, we argue that this reflects a pronounced Mott-insulating scenario. We also find indications that the system is susceptible to antiferromagnetic superstructures. Such artificial lattices on SiC(0001) thus offer a novel platform for coexisting Coulomb correlations and spin-orbit coupling, with bearing for unusual magnetic phases and proposed topological quantum states of matter.

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Formation of Sn‐Induced Nanowires on Si(557)

Jäger

Pfnür

Fanciulli

et al. 2019

Physica Status Solidi (b)

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In this study, the growth of Sn on Si(557) surfaces by means of scanning tunneling microscopy, low energy electron diffraction and angle resolved photoemission is analyzed. Depending on the Sn submonolayer coverage, various Sn-nanowires are identified. For Sn-coverages above 0.5 ML,)-reconstructions are found. In particular, these phases cover extended (111)-areas, thus leading to an inhomogeneous refacetting of the Si(557) surface. The (223)-facets between the mini-(111) terraces reveal structures, which resemble a Â2 reconstruction along edges. The initial step structure of the Si(557) surface is maintained for Sncoverages below 0.5 ML, showing the α-Sn phase on 3 nm wide (111)terraces. In contrast to the 2D Mott state of α-Sn/Si(111), this confinement seems to quench the correlated electronic phase yielding metallic surface states at 40 K, in accordance with photoemission.

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Antiferromagnetic superexchange mediated by a resonant surface state in Sn/Si(111)

Cited by 16 publications

References 39 publications

Phonon-induced electronic relaxation in a strongly correlated system: The Sn/Si(111) (3×3) adlayer revisited

Phonon-induced electronic relaxation in a strongly correlated system: The Sn/Si(111) (3×3) adlayer revisited

Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate

Formation of Sn‐Induced Nanowires on Si(557)

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