Simulation and analysis of X-ray photoemission and Auger valence band spectra of hydrogenated amorphous silicon

All-electron density functional methods have been used to calculate the structures and energies of silicon/ hydrogen clusters with up to 148 atoms. Vibration frequencies are calculated for those clusters with less than 75 atoms. In addition to hydrogen-terminated clusters based on the structures of bulk Si, we study structures involving vacancies, divacancies, and additional H atoms. The results are compared with earlier work and provide vibration fingerprints that should aid the interpretation of measurements ͑such as infrared spectra͒ of hydrogenated crystalline and amorphous silicon.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Simulation and analysis of X-ray photoemission and Auger valence band spectra of hydrogenated amorphous silicon

Cited by 2 publications

References 11 publications

Surface Analysis: X-ray Photoelectron Spectroscopy and Auger Electron Spectroscopy

Surface Analysis: X-ray Photoelectron Spectroscopy and Auger Electron Spectroscopy

Si-H clusters, defects, and hydrogenated silicon

Contact Info

Product

Resources

About