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Scanning tunneling spectroscopy
About: Scanning tunneling spectroscopy is a research topic. Over the lifetime, 7886 publications have been published within this topic receiving 213828 citations.
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TL;DR: Single tetracyanoethyelene molecules on Cu(111) are reversibly switched among five states by applying voltage pulses with the tip of a scanning tunneling microscope, indicating that one of the states is magnetic.
Abstract: Single tetracyanoethyelene (TCNE) molecules on Cu(111) are reversibly switched among five states by applying voltage pulses with the tip of a scanning tunneling microscope. A pronounced Kondo resonance in tunneling spectroscopy indicates that one of the states is magnetic. Side bands of the Kondo resonance appear at energies which correspond to inter- and intramolecular vibrational modes. Density functional theory suggests that molecular deformation changes the occupancy in TCNE’s molecular orbitals, thus producing the magnetic state.
82 citations
TL;DR: In this article, the scanning tunneling microscope was used to investigate electron transfer reactions of redox centers immobilized on a metal electrode in contrast to other methods arbitrarily fast reaction rates can be measured when inner sphere modes are reorganized during the electron transfer.
82 citations
TL;DR: This review of the recent efforts in predicting and understanding the optoelectronic properties of oxides using ab initio theoretical methods discusses the performance of recently developed dielectric-dependent hybrid functionals, providing a comparison against the results of many-body GW calculations.
Abstract: Understanding the electronic structure of metal oxide semiconductors is crucial to their numerous technological applications, such as photoelectrochemical water splitting and solar cells. The needed experimental and theoretical knowledge goes beyond that of pristine bulk crystals, and must include the effects of surfaces and interfaces, as well as those due to the presence of intrinsic defects (e.g. oxygen vacancies), or dopants for band engineering. In this review, we present an account of the recent efforts in predicting and understanding the optoelectronic properties of oxides using ab initio theoretical methods. In particular, we discuss the performance of recently developed dielectric-dependent hybrid functionals, providing a comparison against the results of many-body GW calculations, including G 0 W 0 as well as more refined approaches, such as quasiparticle self-consistent GW. We summarize results in the recent literature for the band gap, the band level alignment at surfaces, and optical transition energies in defective oxides, including wide gap oxide semiconductors and transition metal oxides. Correlated transition metal oxides are also discussed. For each method, we describe successes and drawbacks, emphasizing the challenges faced by the development of improved theoretical approaches. The theoretical section is preceded by a critical overview of the main experimental techniques needed to characterize the optoelectronic properties of semiconductors, including absorption and reflection spectroscopy, photoemission, and scanning tunneling spectroscopy (STS).
82 citations
TL;DR: In this paper, the reflectance anisotropy has been calculated by microscopic tight-binding theory for various configurations of the As-rich GaAs(100) cs4 3 4d and s2 3 4D reconstructions, based on precise atomic coordinates from ab initio total-energy minimization.
Abstract: The reflectance anisotropy has been calculated by microscopic tight-binding theory for various configurations of the As-rich GaAs(100) cs4 3 4d and s2 3 4d reconstructions, based on precise atomic coordinates from ab initio total-energy minimization. The comparison to experimental reflectance anisotropy in combination with scanning tunneling microscopy and low energy electron diffraction allows one to identify precise correlations between structural units and optical features. Clear indications are obtained for the intermediate steps in the surface reconstruction transformation. [S0031-9007(98)06681-2]
82 citations
TL;DR: In this paper, a scanning tunneling microscope (STM) with laser radiation coupled into the tip of the tunneling junction is demonstrated, where the dc current generated by rectifying the laser light and the difference-frequency signal produced in the STM by two laser beams is used to obtain atomic-resolution surface images of graphite, as well as to control the tip-sample distance.
Abstract: New modes of operation of a scanning tunneling microscope (STM) with laser radiation coupled into the tip of the tunneling junction are demonstrated. The dc current generated by rectifying the laser light and the difference-frequency signal produced in the STM by two laser beams are used to obtain atomic-resolution surface images of graphite, as well as to control the tip-sample distance. Such a laser-driven STM can generate surface images without external bias voltage and, when the difference-frequency signal is used for the distance control, even without any dc current between the tip and the sample. This mode of operation may also allow insulators to be studied.
82 citations