| Issue |
Europhys. Lett.
Volume 40, Number 2, October II 1997
|
|
|---|---|---|
| Page(s) | 147 - 152 | |
| Section | Condensed matter: structure, thermal and mechanical properties | |
| DOI | https://doi.org/10.1209/epl/i1997-00437-y | |
| Published online | 01 September 2002 | |
Defects in amorphous Si1-xGex alloys: An explanation of electron spin resonance signals
1
Department of Physics and Semiconductor Physics Research Center,
Jeonbuk National University, Jeonju 561-756, R. O. Korea
2
Department of Physics, Wonkwang University, Iksan 570-749,
R. O. Korea
Received:
30
April
1997
Accepted:
9
September
1997
We generate amorphous 
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
≥ 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.
PACS: 61.72.Hh – Indirect evidence of dislocations and other defects (resistivity, slip, creep, strains, internal friction, EPR, NMR, etc.) / 71.15.Pd – Molecular dynamics calculations (Car-Parrinello) and other numerical simulations / 71.55.Jv – Disordered structures; amorphous and glassy solids
© EDP Sciences, 1997
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