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Issue Europhys. Lett.
Volume 40, Number 2, October 1997
Page(s) 147 - 152
Section Condensed matter: structure, thermal and mechanical properties
DOI 10.1209/epl/i1997-00437-y

DOI: 10.1209/epl/i1997-00437-y


Europhys. Lett, 40 (2), pp. 147-152 (1997)

Defects in amorphous tex2html_wrap_inline301 alloys:
An explanation of electron spin resonance signals

E. Kim tex2html_wrap_inline303, Y. H. Lee tex2html_wrap_inline303, H. J. Lee tex2html_wrap_inline303 and Y. G. Hwang tex2html_wrap_inline309

tex2html_wrap_inline303 Department of Physics and Semiconductor Physics Research Center
Jeonbuk National University - Jeonju 561-756, R. O. Korea
tex2html_wrap_inline309 Department of Physics, Wonkwang University - Iksan 570-749, R. O. Korea

(received 30 April 1997; accepted in final form 9 September 1997)

PACS. 61.72Hh - Indirect evidence of dislocations and other defects (resistivity, slip, creep, strains, internal friction, EPR, NMR, etc.).
PACS. 71.15Pd - Molecular dynamics calculations (Car-Parrinello) and other numerical simulations.
PACS. 71.55Jv - Disordered structures; amorphous and glassy solids.

Abstract:

We generate amorphous tex2html_wrap_inline301 alloys for various Ge compositions by the simulated quenching method using the first-principles molecular-dynamics approach. We find that dangling bonds at Ge sites dominate the local defect structures in a wide range of Ge compositions of x tex2html_wrap_inline319 0.15, although their backbonding states change with Ge composition. This is due to the minimization of strain energy by having dangling bonds at Ge sites in the network. By postulating that only dangling bonds contribute to the g-value, the calculated g-values are in excellent agreement with the observed ones.


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