Electronic structure and Fermi surface of two-dimensional rare-earth silicides epitaxially grown on Si(111)

Rogero, Celia; Koitzsch, Christian; González, M. E.; Aebi, Philipp; Cerdá, Jorge I.; Martín‐Gago, José A.

doi:10.1103/physrevb.69.045312

Cited by 42 publications

(40 citation statements)

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“…An excellent agreement between our experimental points and previous ARPES measurements [40] is found. The agreement is also excellent with the calculated band structure from Rogero et al [43] in the direction ΓM , but not in the direction ΓK. Obviously, the Y Si 2 DFT-LDA calculation reproduces the global shape of the measured hole band but the higher-energy excitations are shifted by values as large as 250 meV.…”

Section: The Joint Density Of States Approximationsupporting

confidence: 82%

“…Obviously, the Y Si 2 DFT-LDA calculation reproduces the global shape of the measured hole band but the higher-energy excitations are shifted by values as large as 250 meV. Similar shifts for the predicted surface-state energy positions around the K point have been mentioned before for Y Si 2 and GdSi 2 and the necessity to improve LDA self-energy term has been noted [43].…”

Section: The Joint Density Of States Approximationsupporting

confidence: 82%

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Fourier-transform scanning tunnelling spectroscopy: the possibility to obtain constant-energy maps and band dispersion using a local measurement

Simon¹,

Bena²,

Vonau³

et al. 2011

J. Phys. D: Appl. Phys.

115

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We present here an overview of the Fourier Transform Scanning Tunneling spectroscopy technique (FT-STS). This technique allows one to probe the electronic properties of a two-dimensional system by analyzing the standing waves formed in the vicinity of defects. We review both the experimental and theoretical aspects of this approach, basing our analysis on some of our previous results, as well as on other results described in the literature. We explain how the topology of the constant energy maps can be deduced from the FT of dI/dV map images which exhibit standing waves patterns. We show that not only the position of the features observed in the FT maps, but also their shape can be explained using different theoretical models of different levels of approximation. Thus, starting with the classical and well known expression of the Lindhard susceptibility which describes the screening of electron in a free electron gas, we show that from the momentum dependence of the susceptibility we can deduce the topology of the constant energy maps in a joint density of states approximation (JDOS). We describe how some of the specific features predicted by the JDOS are (or are not) observed experimentally in the FT maps. The role of the phase factors which are neglected in the rough JDOS approximation is described using the stationary phase conditions. We present also the technique of the T-matrix approximation, which takes into account accurately these phase factors. This technique has been successfully applied to normal metals, as well as to systems with more complicated constant energy contours. We present results recently obtained on graphene systems which demonstrate the power of this technique, and the usefulness of local measurements for determining the band structure, the map of the Fermi energy and the constantenergy maps.

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Section: The Joint Density Of States Approximationsupporting

confidence: 82%

Section: The Joint Density Of States Approximationsupporting

confidence: 82%

Fourier-transform scanning tunnelling spectroscopy: the possibility to obtain constant-energy maps and band dispersion using a local measurement

Simon¹,

Bena²,

Vonau³

et al. 2011

J. Phys. D: Appl. Phys.

115

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show abstract

“…1). Although there is a previous theoretical work in the same system, the authors have assumed the so-called BT 4 atomic geometry and optimized it [23]. (2) The growth of a few layers of YSi 1.7 on Si(1 1 1) was studied considering models [14][15][16][17], which have been initially proposed to explain the adsorption of RE elements on Si(1 1 1), but up to now, there are no theoretical calculations for YSi 2 on Si(1 1 1).…”

Section: Introductionmentioning

confidence: 99%

First principles total energy calculations of the surface atomic structure of yttrium disilicide on Si(111)

2008

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“…This confirms its localized nature and together with its position in the fundamental silicon gap we identify band (A) as surface state. A discussion of the detailed nature of bonding in this material is forthcoming [10]. In the following we compare the calculated dispersion of band (A) to the experimental spectra.…”

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confidence: 99%

Use of angle-resolved photoemission and density functional theory for surface structural analysis of YSi2

et al. 2004

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The atomic structure of two-dimensional yttrium silicide epitaxially grown on Si(1 1 1) was investigated by means of density functional theory calculations and angle-resolved photoemission experiments. The obtained accuracy of the calculations allowed to discriminate different surface arrangements in a quantitative way via comparing their theoretical band structure to the experimental result. Theoretically we find significant changes in the dispersion of a surface localized band upon varying the thickness of the topmost silicon bilayer. For a thickness of 0.4A of the topmost silicon bilayer a strong asymmetry of the surface localized band with respect to C is found, while a thickness of 0.8 A yields a more symmetric dispersion of the band. By comparison with the experimental photoemission results, which show a rather symmetric band around C, we can conclude that the topmost bilayer has a thickness of 0.8 A.

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Electronic structure and Fermi surface of two-dimensional rare-earth silicides epitaxially grown on Si(111)

Cited by 42 publications

References 50 publications

Fourier-transform scanning tunnelling spectroscopy: the possibility to obtain constant-energy maps and band dispersion using a local measurement

Fourier-transform scanning tunnelling spectroscopy: the possibility to obtain constant-energy maps and band dispersion using a local measurement

First principles total energy calculations of the surface atomic structure of yttrium disilicide on Si(111)

Use of angle-resolved photoemission and density functional theory for surface structural analysis of YSi2

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