Combined experimental and theoretical study of fast atom diffraction on the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>β</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>4</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>reconstructed GaAs(001) surface

Debiossac, Maxime; Zugarramurdi, A.; Khemliche, H.; Roncin, P.; Borisov, Andrei G.; Momeni, A.; Atkinson, P.; Eddrief, M.; Finocchi, Fabio; Etgens, V. H.

doi:10.1103/physrevb.90.155308

Cited by 47 publications

(83 citation statements)

References 74 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In Figs. 4(h) and 4(j), a slight azimuthal misalignment of the incident beam with respect to the axial channel [27,[30][31][32] leads to a complex and asymmetrical diffraction chart [33]. Such a misalignment is present also in Fig.…”

Section: B Surface Symmetry From Fast Atom Diffractionmentioning

confidence: 77%

“…4 except for the panels (a), (d), (g), (h), and (j). For these cases, four different pathways from two separated channels with different corrugation within the unit cell contribute to the scattering amplitude which also results in two different rainbow angles [20,33,42,44]. We note that also for one broad single axial channel, more than two pathways are possible due to multiple scattering for a closer approach to the surface mainly at higher normal energies [33,82].…”

Section: B Surface Symmetry From Fast Atom Diffractionmentioning

confidence: 85%

“…Therefore, modifications of the surface can be neglected [13,14]. Among these techniques, especially fast atom diffraction (FAD) [11,[15][16][17][18][19][20][21][22] with de Broglie wavelengths of some 0.001Å gained considerable interest and motivated numerous studies with respect to FADs phenomenological description [23][24][25][26][27][28][29][30][31][32][33][34][35][36] and utilization for epitaxial growth monitoring [37,38] as well as qualitative and quantitative structure determination [19][20][21]33,[39][40][41][42][43][44][45].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Quantitative structure determination using grazing scattering of fast atoms: Oxygen-induced missing-row reconstruction of Mo(112)

Seifert

Winter

2016

Phys. Rev. B

View full text Add to dashboard Cite

We present an extensive study on the structure of oxygen adsorbates on Mo(112) by means of grazing scattering of fast hydrogen and helium atoms and low-energy electron diffraction. For projectile energies less than 2 keV, fast atom diffraction provides information on the surface unit cell and on adsorption sites for low coverages. In the classical scattering regime, we employed so-called triangulation techniques where for an azimuthal rotation of the target axial surface channels are identified. From comparison with computer simulation positions of surface atoms can be derived. Aside from the detection scheme of projectile-induced electron emission, we present details for a new variant of triangulation based on the detection of angular distributions of scattered particles. The different sensitivity of the methods to the topmost surface layers allows us to efficiently set up structural models for four adsorbate phases for which contradicting models exist in literature. The c(4×2) phase is revealed to be one step in the formation of a missing-row reconstruction with p(1×2) unit cell. Our studies demonstrate the potential of grazing scattering of fast atoms for quantitative structure analysis.

show abstract

Section: B Surface Symmetry From Fast Atom Diffractionmentioning

confidence: 77%

Section: B Surface Symmetry From Fast Atom Diffractionmentioning

confidence: 85%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Quantitative structure determination using grazing scattering of fast atoms: Oxygen-induced missing-row reconstruction of Mo(112)

Seifert

Winter

2016

Phys. Rev. B

View full text Add to dashboard Cite

show abstract

“…For instance, the low-temperature molecular beam epitaxy (MBE)-grown GaAs (LTGaAs), crucial to the development of terahertz emitter/detector 3,4) , with emerging applications in communications, imaging and sensing [5][6][7][8] , has its structural, electronic, and optical properties recently investigated theoretically [9][10][11][12] . In general, the GaAs(001) facet is considered due to the (2×4) or (4×4) reconstructions observed in the re‰ection high energy electron diŠraction (RHEED) and scanning tunneling microscopy (STM) [13][14][15] .…”

Section: Introductionmentioning

confidence: 99%

Symmetry Breaking-induced Band-splitting in GaAs Thin Film by First-principles Calculations

2017

View full text Add to dashboard Cite

We investigated the band-splitting of GaAs thinˆlm by invoking broken inversion symmetry within the bulk region and the lost of 2D symmetry on the surface due to strain inˆrst-principles calculations using density functional theory with spin-orbit interaction. The system is modeled by unreconstructed GaAs(001)-(1×1) slab, and by its strained counterpart arising from As dimerization. For the unstrained system, we found that the valence bands split while the conduction bands remain degenerate. This degeneracy is attributed to the sole contribution of p-state of As atoms found on the surface to this band, where 2D symmetry is preserved. When strain is imposed on this surface, the symmetry is broken and the conduction bands are split. Thesê ndings identify the changes in the band structure due to broken symmetry, suggesting their incorporation in the conventional degenerate theoretical description of the GaAs thinˆlms done to date.

show abstract

“…Spectra measured for molecular projectiles are richer than for atomic projectiles due to the internal molecular degrees of freedom (DOFs) [7], and therefore they are in principle a more sensitive tool for surface analysis. From a theoretical point of view, the diffraction of atomic projectiles has been widely studied [4,6,[8][9][10][11][12][13][14][15][16]. However, little attention has been devoted to molecular projectiles, beyond some classical scattering studies [17][18][19], although in this case theory can play a key role in understanding experimental results.…”

Section: Introductionmentioning

confidence: 99%

H2/LiF(001) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface

et al. 2017

View full text Add to dashboard Cite

Grazing incidence fast molecule diffraction (GIFMD) has been recently used to study a number of surfaces, but this experimental effort has not been followed, to present, by a subsequent theoretical endeavor. Aiming at filling this gap, in this work, we have carried out GIFMD simulations for the benchmark system H 2 /LiF(001). To perform our study, we have built a six-dimensional potential energy surface (6D-PES) by applying a modified version of the corrugation reducing procedure (CRP) to a set of density functional theory (DFT) energies. Based on this CRP interpolated PES, we have conducted quantum dynamics calculations using both the multiconfiguration time-dependent Hartree and the time-dependent wave packet propagation methods. We have compared the results of our GIFMD simulations with available experimental spectra. From this comparison, we have uncovered a prominent role of the interaction between the quadrupole moment of H 2 and the electric field associated with LiF(001) for specific incidence crystallographic directions. We show that, on the one hand, the molecule's initial rotation strongly affects its diffractive scattering and, on the other hand, the scattering is predominantly rotationally elastic over a wide range of incidence conditions typical for GIFMD experiments.

show abstract

Combined experimental and theoretical study of fast atom diffraction on theβ2(2×4)reconstructed GaAs(001) surface

Cited by 47 publications

References 74 publications

Quantitative structure determination using grazing scattering of fast atoms: Oxygen-induced missing-row reconstruction of Mo(112)

Quantitative structure determination using grazing scattering of fast atoms: Oxygen-induced missing-row reconstruction of Mo(112)

Symmetry Breaking-induced Band-splitting in GaAs Thin Film by First-principles Calculations

H2/LiF(001) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface

Contact Info

Product

Resources

About