Diatomic-Hydrogen-Complex Diffusion and Self-Trapping in Crystalline Silicon

K. J. Chang and D. J. Chadi
Phys. Rev. Lett. 62, 937 – Published 20 February 1989
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Abstract

We propose a new metastable diatomic hydrogen complex in crystalline Si. Our ab initio calculations show that the complex is about 1.2 eV more stable than two separated neutral hydrogen atoms in their most energetically favorable configurations. A novel diffusion mechanism, based on metastable and molecular hydrogen-complex formation and dissociation, is presented.

  • Received 7 November 1988

DOI:https://doi.org/10.1103/PhysRevLett.62.937

©1989 American Physical Society

Authors & Affiliations

K. J. Chang and D. J. Chadi

  • Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304

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Vol. 62, Iss. 8 — 20 February 1989

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Heating up of Superconductors
January 27, 2017

This collection marks the 30th anniversary of the discovery of high-temperature superconductors. The papers selected highlight some of the advances that have been made to date, both in understanding why these compounds behave in the way they do, and in utilizing them in applications. The papers included in the collection have been made free to read.

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