Optical properties of the GaAs(001)‐<i>c</i>(4 × 4) surface: direct analysis of the surface dielectric function

Hogan, Conor; Sole, R. Del

doi:10.1002/pssb.200562231

Cited by 10 publications

(6 citation statements)

References 30 publications

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“…Notice that, by selection rules, the molecules can minimally absorb light polarized perpendicularly to the molecular planes (see

A_{y}

in Figure ): hence the imaginary part of

Δ ε = ε_{x} - ε_{y}

has a positive sign. This is not in contradiction with the RAS sign in the same energy region, because peaks (iii) and (iv) fall above the point where

true({ε^{'}}_{normalS normali} - 1 true) / true[(1 - {normalε}^{'}_{S i})^{2} + {({normalε}^{″}_{S i})}^{2} true]

becomes negative (this function of the bulk Si dielectric constant

ε_{Si}

multiplies the term with

Δ ε^{″}

to obtain the RAS), as shown by us in Figure 5 of Ref. .…”

Section: Reflection Anisotropy Spectra Of Si(001):x Systemsmentioning

confidence: 72%

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Optical Properties of Free and Si(001)‐Adsorbed Pyrimidinic Nucleobases

Molteni

Fratesi

Cappellini

et al. 2017

Physica Status Solidi (b)

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In this work, we predict and analyze the optical spectra of pyrimidinic uracil‐like nucleobases thymine (THY), uracil (URA), and 5‐fluorouracil (5‐FU) and their reflection anisotropy spectra (RAS) upon adsorption on the silicon (001) surface. First‐principles results based on plane‐wave density functional theory show chemically sensitive features in gas phase optical absorption spectra that redshift/blueshift according to the orbitals involved in the corresponding transition. In the RAS, a characteristic lineshape is found, typical of the energetically favored “dimer bridge” configuration, and remarkably similar for all the investigated Si(001):X systems (X = THY, URA, 5‐FU). We show that molecular tilting and breaking of the glide plane symmetry have a negligible effect on the optical spectra, despite their influence on the surface bandstructure. Contrarily to gas phase spectra, chemically sensitive RAS features only appear above 4.5 eV, and can be recognized as molecular contributions consistent with gas phase optical absorption results whereas substrate effects dominate at lower energies.

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“…Notice that, by selection rules, the molecules can minimally absorb light polarized perpendicularly to the molecular planes (see

A_{y}

in Figure ): hence the imaginary part of

Δ ε = ε_{x} - ε_{y}

has a positive sign. This is not in contradiction with the RAS sign in the same energy region, because peaks (iii) and (iv) fall above the point where

true({ε^{'}}_{normalS normali} - 1 true) / true[(1 - {normalε}^{'}_{S i})^{2} + {({normalε}^{″}_{S i})}^{2} true]

becomes negative (this function of the bulk Si dielectric constant

ε_{Si}

multiplies the term with

Δ ε^{″}

to obtain the RAS), as shown by us in Figure 5 of Ref. .…”

Section: Reflection Anisotropy Spectra Of Si(001):x Systemsmentioning

confidence: 72%

“…h i becomes negative (this function of the bulk Si dielectric constant ϵ Si multiplies the term with Δϵ 00 to obtain the RAS [15] ), as shown by us in Figure 5 of Ref. [14].…”

Section: Reflection Anisotropy Spectra Of Si(001):x Systemsmentioning

confidence: 99%

Optical Properties of Free and Si(001)‐Adsorbed Pyrimidinic Nucleobases

Molteni

Fratesi

Cappellini

et al. 2017

Physica Status Solidi (b)

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“…RAS spectra are calculated as described in ref. [45,49‐52]

\frac{Δ R}{R} = \frac{16 π ω Z_{S}}{c} I m \frac{α_{y y} (ω) - α_{x x} (ω)}{ε_{Si} (ω) - 1}

with the knowledge of the Si(553)–Au slab polarizability α ij and the dielectric function of the silicon substrate

ε_{Si}

. Thereby x is the polarization direction perpendicular to the Au wires (e.g.,

[11 \overset{false¯}{2}]

), while y is the direction parallel to the Au wires (e.g.,

[1 \overset{false¯}{1} 0]

).…”

Section: Methodsmentioning

confidence: 99%

Adsorbate‐Induced Modifications in the Optical Response of the Si(553)–Au Surface

Chandola

Sanna

Hogan

et al. 2022

Physica Rapid Research Ltrs

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atoms on selected semiconducting surfaces leads to a variety of ordered, atomic-scale chain structures. [1][2][3][4][5][6][7][8][9][10][11] Au-induced reconstructions on vicinal Si(111) surfaces have been studied intensively for years, as small coverages of Au stabilize the Si terraces by the formation of Au rows, which are expected to feature exciting physical properties such as quantization of conductance, spin-charge separation, charge and spin density waves, and Luttinger liquid behavior. [12][13][14][15][16] The Si(553)-(5 Â 2)-Au surface was first investigated by Crain et al., [17] and reported to show metallic states in the electronic band structure by angle-resolved photoemission spectrosopy. Since then, numerous lines of research have emerged, dedicated to the investigation of the atomic structure, [18][19][20][21] lattice dynamics, [22] spin patterns, [23][24][25] phase transitions, [26,27] as well as electronic structure and its adsorptioninduced modifications. [28][29][30][31][32] According to our current knowledge of the system, the hightemperature phase of the Si(553)-Au surface is stable from room temperature down to about 120 K. It consists of a double Au

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“…Here we compare between the dielectric function with different light polarization, namely x-polarization ( ) and ypolarization ( ). Both of dielectric functions for different polarizations are not identic, this indicates an anisotropy feature of the surface that related (suggested) to the present of surface state [9]. For further analysis of this feature we need RAS (reflected anisotropy spectroscopy).…”

Section: Electronic and Optical Properties Of Surfacementioning

confidence: 99%

First Principle Calculation of Electronic, Optical Properties and Photocatalytic Potential of CuO Surfaces

Ahmad¹

2016

KEG

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We have performed DFT calculations of electronic structure, optical properties and photocatalytic potential of the low-index surfaces of CuO. Photocatalytic reaction on the surface of semiconductor requires the appropriate band edge of the semiconductor surface to drive redox reactions. The calculation begins with the electronic structure of bulk system; it aims to determine realistic input parameters and band gap prediction. CuO is an antiferromagnetic material with strong electronic correlations, so that we have applied DFT + U calculation with spin polarized approach, beside it, we also have used GW approximation to get band gap correction. Based on the input parameters obtained, then we calculate surface energy, work function and band edge of the surfaces based on a framework developed by Bendavid et al ( J. Phys. Chem. B, 117, 15750-15760) and then they are aligned with redox potential needed for water splitting and CO 2 reduction. Based on the calculations result can be concluded that not all of low-index CuO have appropriate band edge to push reaction of water splitting and CO2 reduction, only the surface CuO(111) and CuO(011) which meets the required band edge. Fortunately, based on the formation energy, CuO(111) and CuO(011) is the most stable surface. The last we calculate electronic structure and optical properties (dielectric function) of low-index surface of CuO, in order to determine the surface state of the most stable surface of CuO.

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Optical properties of the GaAs(001)‐c(4 × 4) surface: direct analysis of the surface dielectric function

Cited by 10 publications

References 30 publications

Optical Properties of Free and Si(001)‐Adsorbed Pyrimidinic Nucleobases

Optical Properties of Free and Si(001)‐Adsorbed Pyrimidinic Nucleobases

Adsorbate‐Induced Modifications in the Optical Response of the Si(553)–Au Surface

First Principle Calculation of Electronic, Optical Properties and Photocatalytic Potential of CuO Surfaces

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