# Electric field dependent structural and vibrational properties of the Si(100)-H(2 \\times 1) surface and its implications for STM induced hydrogen desorption

Source: [Electric field dependent structural and vibrational properties of the Si(100)-H(2 \\times 1) surface and its implications for STM induced hydrogen desorption](<https://www.sota2.com/research/paper/68fa24c52c2a3760193a8a93>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-27T02:59:29.803Z

Authors: K. Stokbro

Published: 1999-03-01T08:48:26.000Z

## Abstract

We report a first principles study of the structure and the vibrational properties of the Si(100)-H(2 \\times 1) surface in an electric field. The calculated vibrational parameters are used to model the vibrational modes in the presence of the electric field corresponding to a realistic STM tip-surface geometry. We find that local one-phonon excitations have short lifetimes (10 ps at room temperature) due to incoherent lateral diffusion, while diffusion of local multi-phonon excitations are suppressed due to anharmonic frequency shifts and have much longer lifetimes (10 ns at room temperature). We calculate the implications for current induced desorption of H using a recently developed first principles model of electron inelastic scattering. The calculations show that inelastic scattering events with energy transfer $n \\hbar \\omega$, where n\>1, play an important role in the desorption process.

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/cond-mat/9903015>)

[PDF](<https://arxiv.org/pdf/cond-mat/9903015.pdf>)