Absolute coverage determination in the K/Si(111):<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>B</mml:mi></mml:math>-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>2</mml:mn><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt><mml:mi>R</mml:mi><mml:msup><mml:mn>30</mml:mn><mml:mo>∘</mml:mo></mml:msup></mml:mrow></mml:math>surface

Tournier-Colletta, C.; Cárdenas, Luis; Fagot‐Revurat, Y.; Tejeda, Antonio; Kierren, B.; Malterre, D.

doi:10.1103/physrevb.84.155443

Cited by 9 publications

(21 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A novel interpretation in terms of a lattice-driven bipolaronic insulating ground state, instead of a Mott-Hubbard one, has been proposed showing a quantitative agreement with the angle-resolved photoemission spectroscopy (ARPES) spectra [18]. Contrary to former assumption, saturation coverage has been proved to be 0.5 monolayer leading to the possible alternation of empty and doubly occupied Si dangling bonds in agreement with the bipolaronic model on the hexagonal lattice [19,20]. Nevertheless, the surface reconstruction and the corresponding charge order have not been solved up to now.…”

supporting

confidence: 55%

“…This has been shown to be a common feature of alkali-metal/Si:B ultrathin films and, unlike previous considerations, it has been evidenced very recently that the saturation coverage corresponds to s ¼ 0:5 alkali-metal monolayer [20]. Previous CLPES measurements of the coverage dependence of B 1s core levels have been shown to exhibit two distinct regimes: a single peak is observed for the Si:B substrate whereas a spectral weight transfer occurs through a second low binding energy contribution above half of the saturation coverage [22][23][24][25].…”

mentioning

confidence: 58%

See 1 more Smart Citation

Giant Alkali-Metal-Induced Lattice Relaxation as the Driving Force of the Insulating Phase of Alkali-Metal/Si(111):B

et al. 2011

Self Cite

View full text Add to dashboard Cite

Ab initio density-functional theory calculations, photoemission spectroscopy (PES), scanning tunneling microscopy, and spectroscopy (STM, STS) have been used to solve the 2 ffiffiffi 3 p Â 2 ffiffiffi 3 p R30 surface reconstruction observed previously by LEED on 0.5 ML K=Si:B. A large K-induced vertical lattice relaxation occurring only for 3=4 of Si adatoms is shown to quantitatively explain both the chemical shift of 1.14 eV and the ratio 1=3 measured on the two distinct B 1s core levels. A gap is observed between valence and conduction surface bands by ARPES and STS which is shown to have mainly a Si-B character. Finally, the calculated STM images agree with our experimental results. This work solves the controversy about the origin of the insulating ground state of alkali-metal=Sið111Þ:B semiconducting interfaces which were believed previously to be related to many-body effects.

show abstract

supporting

confidence: 55%

mentioning

confidence: 58%

Giant Alkali-Metal-Induced Lattice Relaxation as the Driving Force of the Insulating Phase of Alkali-Metal/Si(111):B

et al. 2011

Self Cite

View full text Add to dashboard Cite

show abstract

“…Commonly considered to be realizations of the one-band Hubbard model and toy systems for investigating many-body physics on the triangular lattice, such surfaces have been explored experimentally [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] and theoretically [19][20][21][22][23][24][25][26][27][28][29][30][31].These so-called α-phases show a remarkable variety of interesting physics including commensurate charge density wave (CDW) states [5,6,9] and isostructural metal to insulator transitions (MIT) [14]. However, while specific systems and/or phenomena have been investigated also theoretically, a comprehensive understanding including materials trends is still lacking.…”

mentioning

confidence: 99%

Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently CombinedGWand Dynamical Mean-Field Theory

Hansmann

Ayral²,

Vaugier³

et al. 2013

Phys. Rev. Lett.

117

162

View full text Add to dashboard Cite

Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of freedom. We report a fully ab initio derivation of low energy Hamiltonians for the adatom systems Si(111):X, with X=Sn, Si, C, Pb, that we solve within self-consistent combined GW and dynamical mean field theory ("GW+DMFT"). Calculated photoemission spectra are in agreement with available experimental data. We rationalize experimentally observed tendencies from Mott physics towards charge-ordering along the series as resulting from substantial long-range interactions.PACS numbers: 71.15. Mb, 73.20.At, 71.10.Fd, 71.30.h Understanding the electronic properties of materials with strong electronic Coulomb correlations remains one of the biggest challenges of modern condensed matter physics. The interplay of delocalization and interactions is not only at the origin of exotic ground states, but also determines the excitation spectra of correlated materials. The "standard model" of correlated fermions, the Hubbard model, in principle captures these phenomena. Yet, relating the model to the material on a microscopic footing remains a challenge. Even more importantly, the approximation of purely local Coulomb interactions can become severe in realistic materials, where long-range interactions and charge fluctuation physics cannot be neglected.Systems of adatoms on semiconducting surfaces, such as Si (111):X with X=Sn, C, Si, Pb, have been suggested [1] to be good candidates for observing low-dimensional correlated physics. Commonly considered to be realizations of the one-band Hubbard model and toy systems for investigating many-body physics on the triangular lattice, such surfaces have been explored experimentally [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] and theoretically [19][20][21][22][23][24][25][26][27][28][29][30][31].These so-called α-phases show a remarkable variety of interesting physics including commensurate charge density wave (CDW) states [5,6,9] and isostructural metal to insulator transitions (MIT) [14]. However, while specific systems and/or phenomena have been investigated also theoretically, a comprehensive understanding including materials trends is still lacking. A central goal of our work is to present a unified picture that relates, within a single framework, different materials (adatom systems), placing them in a common phase diagram.We derive low-energy effective Hamiltonians ab initio from a combined density functional and constrained random phase approximation (cRPA) scheme [32] in the implementation of [33] (see also the extension to surface systems in [34]). While the first surprise are the relatively large values of the onsite interactions which we find to be of the order of the bandwidth (≈ 1 eV), most importantly we show that non-local interactions are large (nearestneighbor interaction of ≈ 0.5 eV) and, hence, an essential part of t...

show abstract

“…It is puzzling why other studies on this system obtained a coverage of 0.33 ML for saturation 4. One explanation may be a difference in saturation for the work function 3, 54, 58, 59, 76 and for the core level 68, because it is known that the work function may saturate before core levels 77. However, Weitering et al 58 found a simultaneous saturation of work function and core levels.…”

Section: Mott/bipolaronic Insulators On K/si(111):bmentioning

confidence: 89%

“…With all these considerations in mind, the necessity to study the K/Si(111):B‐$2\sqrt {3} $ coverage was evident. The well‐known K/Si(111)‐(3 × 1) reconstruction can be used as a reference to determine the absolute coverage of the $2\sqrt {3} $ reconstruction 68. A comparative LEED and XPS study of K/Si(111):B‐$2\sqrt {3} $ and K/Si(111)‐(3 × 1) was then performed.…”

Section: Mott/bipolaronic Insulators On K/si(111):bmentioning

confidence: 99%

Electron correlation and many‐body effects at interfaces on semiconducting substrates

Tejeda

Fagot‐Revurat

Cortés

et al. 2012

Physica Status Solidi (a)

Self Cite

View full text Add to dashboard Cite

Low dimensional systems are characterized by at least one spatial dimension of only some atoms. Such size reduction has often important consequences for physical properties. Electronic correlation and electron–phonon coupling can originate Mott insulators or charge density waves (CDWs), both phenomena enhanced by dimensionality reduction. Interfaces offer a natural way of reducing the dimensionality. Among all the surfaces, semiconducting surfaces are particularly well adapted for electronic correlation studies. In them, correlation is enhanced because of the low dimension, the electronic localization in dangling bonds and the large inter‐orbital distances in reconstructions. Despite these factors favoring correlation, eventually stronger than in bulk systems, the field is by far much less developed. We review here the discovery of correlated surfaces, while studying the Schottky barrier of alkalis on Si or GaAs, and coetaneous studies on SiC. We summarize then the studies on K/Si(111):B, whose ${\left( {\sqrt {3} \times \sqrt {3} } \right)}R30^\circ $ was considered a surface Mott insulator with an important electron‐phonon coupling. The recent discovery of a ${\left( {2\sqrt {3} \times 2\sqrt {3} } \right)}R30^\circ $ symmetry has been first interpreted as evidence of a bipolaronic insulator, but new findings have finally proven it to be a band insulator. We will then focus on the model system Sn/Ge(111). The last unclear issue about the (3 × 3) reconstruction at 150 K was related to the Sn 4d core level. High‐resolution photoemission has clarified the core level deconvolution while refining the structural model. This metallic reconstruction is sensitive to electronic correlations which trigger a phase transition to a Mott phase below 30 K.

show abstract

Absolute coverage determination in the K/Si(111):B-23×23R30∘surface

Cited by 9 publications

References 39 publications

Giant Alkali-Metal-Induced Lattice Relaxation as the Driving Force of the Insulating Phase of Alkali-Metal/Si(111):B

Giant Alkali-Metal-Induced Lattice Relaxation as the Driving Force of the Insulating Phase of Alkali-Metal/Si(111):B

Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently CombinedGWand Dynamical Mean-Field Theory

Electron correlation and many‐body effects at interfaces on semiconducting substrates

Contact Info

Product

Resources

About