Publication

Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2 x 1 surface: a first-principles study

Alfredo Pasquarello
2001
Journal Articles

Abstract

Using a first-principles approach, we investigate the effect of interdimer interactions on N Is core-level shifts at the NH3 saturated Si(100)-2 X 1 surface. Fully relaxed model structures are generated in which -NH2 groups on adjacent dimers in a row are located either on opposite ends (OE) or on the same ends of the respective dimers. By comparing calculated core-level shifts with measured photoemission spectra, we show that the OE configuration dominates, supporting the occurrence of an ordered coverage pattern. (C) 2001 Elsevier Science B.V. All rights reserved.

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https://infoscience.epfl.ch/entities/publication/0c82f591-d21f-4661-aad8-7d39d2316d11

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Alfredo Pasquarello
2001
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/0c82f591-d21f-4661-aad8-7d39d2316d11

About this result

Related concepts (29)

Photoemission spectroscopy

Photoemission spectroscopy (PES), also known as photoelectron spectroscopy, refers to energy measurement of electrons emitted from solids, gases or liquids by the photoelectric effect, in order to determine the binding energies of electrons in the substance. The term refers to various techniques, depending on whether the ionization energy is provided by X-ray, XUV or UV photons. Regardless of the incident photon beam, however, all photoelectron spectroscopy revolves around the general theme of surface analysis by measuring the ejected electrons.

X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy (XPS) is a surface-sensitive quantitative spectroscopic technique based on the photoelectric effect that can identify the elements that exist within a material (elemental composition) or are covering its surface, as well as their chemical state, and the overall electronic structure and density of the electronic states in the material. XPS is a powerful measurement technique because it not only shows what elements are present, but also what other elements they are bonded to.

Absorption spectroscopy

Absorption spectroscopy refers to spectroscopic techniques that measure the absorption of electromagnetic radiation, as a function of frequency or wavelength, due to its interaction with a sample. The sample absorbs energy, i.e., photons, from the radiating field. The intensity of the absorption varies as a function of frequency, and this variation is the absorption spectrum. Absorption spectroscopy is performed across the electromagnetic spectrum.

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Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2 x 1 surface: a first-principles study

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