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interstitial defect : ウィキペディア英語版
interstitial defect
Interstitials are a variety of crystallographic defects, i.e. atoms which occupy a site in the crystal structure at which there is usually not an atom, or two or more atoms sharing one or more lattice sites such that the number of atoms is larger than the number of lattice sites.
They are generally high energy configurations.
〔P. Ehrhart, ''Properties and interactions of atomic defects in metals and alloys'', edited by H. Ullmaier, Landolt-Börnstein, New Series III vol. 25 ch. 2 p. 88- (Springer, Berlin, 1991)〕
Small atoms in some crystals can occupy interstitial sites in an energetically favourable configuration, such as hydrogen in palladium.
Interstitials can be produced for instance by particle irradiation above the
threshold displacement energy, but may also exist in small
concentrations in thermodynamic equilibrium.
== Self-interstitials ==

Self-interstitial defects are interstitial defects which contain only atoms which are the same as
those already present in the lattice.
The structure of interstitial defects has been experimentally
determined in some metals and semiconductors.
Contrary to what one might
intuitively expect, most self-interstitials in metals with a known structure
have a 'split' structure, in which two atoms share the same lattice site.
〔〔Self-interstitial atoms in metals, Journal of Nuclear Materials 69&70 (1978) p. 465.〕
Typically the center of mass of the two atoms is at the lattice site,
and they are displaced symmetrically from it along one of the
principal lattice directions. For instance,
in several common FCC metals such as copper, nickel and platinum, the
ground state structure of the self-interstitial is
the split () interstitial structure, where two atoms are
displaced in a positive and negative () direction from
the lattice site. In BCC iron the ground state
interstitial structure is similarly a () split
interstitial.
These split interstitials are often
called dumbbell interstitials, because plotting the two
atoms forming the interstitial with two large spheres
and a thick line joining them makes the structure resemble
a dumbbell weight-lifting device.
In other BCC metals than iron, the ground state structure is believed
based on recent Density-functional theory calculations to be the () crowdion interstitial, which can be
understood as a long chain (typically some 10-20)
of atoms along the () lattice direction, compressed
compared to the perfect lattice such that the chain contains one extra atom.
In semiconductors the situation is more complex, since defects may be charged and different charge states may have different structures. For instance, in silicon, the interstitial may either have a split () structure or a tetrahedral truly interstitial one.
〔G. D. Watkins, Native defects and their interactions with impurities in silicon, in Defects and Diffusion in Silicon Processing, edited by T. Diaz de la Rubia, S. Coffa, P. A. Stolk and C. S. Rafferty, MRS Symposium Proceedings vol. 469 p. 139 (Materials Research Society, Pittsburg 1991)


抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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