First-principles study of Ge dangling bonds in GeO2 and correlation with electron spin resonance at Ge/GeO2 interfaces

2011 ◽  
Vol 99 (21) ◽  
pp. 212103 ◽  
Author(s):  
M. Houssa ◽  
G. Pourtois ◽  
V. V. Afanas’ev ◽  
A. Stesmans
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
First Principles ◽  
Dangling Bonds ◽  
First Principles Study ◽  
Spin Resonance

First-principles investigation of the electron spin resonance parameters of germanium interfacial dangling bond centers

2009 ◽  
Vol 94 (18) ◽  
pp. 184103 ◽  
Author(s):  
K. Sankaran ◽  
G. Pourtois ◽  
M. Houssa ◽  
A. Stesmans ◽  
M. Caymax ◽  
...  
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
First Principles ◽  
Dangling Bond ◽  
Resonance Parameters ◽  
Spin Resonance

scholarly journals Electron-spin-resonance center of dangling bonds in undopeda−Si:H

1999 ◽  
Vol 59 (7) ◽  
pp. 4849-4857 ◽  
Author(s):  
T. Umeda ◽  
S. Yamasaki ◽  
J. Isoya ◽  
K. Tanaka
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Dangling Bonds ◽  
Spin Resonance

E' CENTERS IN SILICON DIOXIDE: FIRST-PRINCIPLES MOLECULAR DYNAMICS STUDIES

2004 ◽  
Vol 18 (15) ◽  
pp. 707-724 ◽  
Author(s):  
MAURO BOERO ◽  
ATSUSHI OSHIYAMA ◽  
PIER LUIGI SILVESTRELLI
Keyword(s):  
Molecular Dynamics ◽  
Electron Spin Resonance ◽  
Silicon Dioxide ◽  
First Principles ◽  
Optical Devices ◽  
Spin States ◽  
Dangling Bonds ◽  
Crystalline Quartz ◽  
Spin Resonance

The point-like defects known as E' centers are the most abundant natural defects in silicon dioxide ( SiO 2) and have been identified as unpaired sp3 dangling bonds. Their importance stems from the fact that they deeply affect the quality of electronic and optical devices. For this reason, particular attention has been paid in their characterization since the early 1960s. In this work, we review theoretical and experimental results concerning these kinds of defects, focusing on the related charge and spin states. In particular, the defect known as E' in crystalline quartz and its analogous E'γ in amorphous SiO 2, detected by electron spin resonance, are shown to be due to the Si dangling bonds that arise either upon removal or displacement of an oxygen atom in a SiO 2 network, accompanied by an asymmetric relaxation of the network.

Photoluminescence and ESR study of Si1−xGex alloy nanocrystals

2000 ◽  
Vol 638 ◽  
Author(s):  
K. Toshikiyo ◽  
M. Tokunaga ◽  
S. Takeoka ◽  
M. Fujii ◽  
S. Hayashi
Keyword(s):  
Thin Films ◽  
Electron Spin Resonance ◽  
Electron Spin ◽  
Radiative Recombination ◽  
Dangling Bond ◽  
Dangling Bonds ◽  
Alloy Nanocrystals ◽  
Esr Spectrum ◽  
Spin Resonance ◽  
Recombination Centers

AbstractDangling bond defects in Si1−xGex alloy nanocrystals (nc-Si1−xGex) as small as 4 nm in diameter embedded in SiO2 thin films were studied by electron spin resonance (ESR), and the effects of the defects on photoluminescence (PL) properties were discussed. It was found that the ESR spectrum is a superposition of signals from Si and Ge dangling bonds at the interfaces between nc-Si1−xGex and SiO2 matrices (Si and Ge Pb centers). As Ge concentration increased, the intensity of the signal from the Ge Pb centers increased, while that from the Si Pb centers was almost independent of Ge concentration. The increase in the number of Ge Pb centers was accompanied by strong quenching of the PL. The observed correlation between the two measurements suggests that Ge Pb centers act as efficient non-radiative recombination centers for photogenerated carriers, resulting in the quenching of the PL.

scholarly journals Point defects in MoS 2 : Comparison between first-principles simulations and electron spin resonance experiments

2017 ◽  
Vol 416 ◽  
pp. 853-857 ◽  
Author(s):  
M. Houssa ◽  
K. Iordanidou ◽  
G. Pourtois ◽  
V.V. Afanas’ev ◽  
A. Stesmans
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Point Defects ◽  
First Principles ◽  
Spin Resonance

Interaction of Oxygen with Nanophase Carbons Investigated by Electron Spin Resonance Spectroscopy

1999 ◽  
Vol 593 ◽  
Author(s):  
A. Manivannan ◽  
A. Punnoose ◽  
M.S. Seehra
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Activated Carbons ◽  
Resonance Spectroscopy ◽  
Direct Relation ◽  
Dangling Bonds ◽  
Spin Concentration ◽  
Surface Areas ◽  
Partial Pressures ◽  
Spin Resonance

ABSTRACTInteraction of oxygen with three commercial activated carbons (GX203, P1400 and MEED50 supplied by PICA USA Inc., with BET surface areas of 1000, 1150 and 2000 m2/g respectively) is investigated using 9 GHz electron spin resonance (ESR) spectroscopy. All three carbons give a single ESR line with g = 2.0028(3), but the linewidth ΔH and the spin concentration Ns, are strongly affected by exposure to oxygen. The ESR parameters (g, ΔH, Ns) are measured for different partial pressures of oxygen. For the highly evacuated samples, δH ≃ 1.2 Oe and Ns ≃ 1019/gm and these results are interpreted in terms of uncompensated surface dangling bonds. Oxygen exposure broadens the line and reduces Ns, in direct relation to the surface areas of the carbons and the effect is reversible. Possible effects of the paramagnetic oxygen on dangling bonds are discussed.

Study of dangling bonds in nanometer‐sized granulet silicon nitride by electron‐spin resonance

1993 ◽  
Vol 74 (10) ◽  
pp. 6313-6316 ◽  
Author(s):  
Tao Wang ◽  
Lide Zhang ◽  
Xiaojun Fan ◽  
Jitong Hu ◽  
Jimei Mo
Keyword(s):  
Electron Spin Resonance ◽  
Silicon Nitride ◽  
Electron Spin ◽  
Dangling Bonds ◽  
Spin Resonance
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