New Set of Tetrahedral Covalent Radii

J. A. Van Vechten and J. C. Phillips
Phys. Rev. B 2, 2160 – Published 15 September 1970
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Abstract

A table of additive covalent radii for tetrahedrally coordinated crystals is obtained by simple quantum-mechanical considerations using the bond lengths of the four diamond-type crystals and only two free parameters. The 39 bond lengths so obtained agree with experiment with an rms error of less than 1%. The extension of these considerations to other crystal structures and to molecules is considered. These radii should be useful for estimating lattice distortions produced by isoelectronic impurities.

  • Received 5 March 1970

DOI:https://doi.org/10.1103/PhysRevB.2.2160

©1970 American Physical Society

Authors & Affiliations

J. A. Van Vechten* and J. C. Phillips

  • Bell Telephone Laboratories, Murray Hill, New Jersey 07974

  • *Present address: Naval Research Laboratory, Washington, D.C., 20390.

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Issue

Vol. 2, Iss. 6 — 15 September 1970

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