Add to ORKGWe report the first ab initio quantum mechanical investigation of the structure of the E{sub {delta}}` center in a-SiO{sub 2}. Our calculations suggest that the unpaired electron is shared by only two Si atom, irrespective of the Si cluster size
Using classical and ab initio calculations we demonstrate that extra electrons can be trapped in pur...
International audienceA first-principles investigation of E′ centers in vitreous silica (v−SiO2) bas...
The point-like defects known as E' centers are the most abundant natural defects in silicon dioxide ...
Using classical and ab initio calculations we demonstrate that extra electrons can be trapped in pur...
We conduct a thorough investigation of the tunneling dynamics of oxide traps in a-SiO2, in particula...
We report an experimental study by electron paramagnetic resonance (EPR) of E'_delta point defect in...
We report a study by electron paramagnetic resonance on the E0 point defect in amorphous silicon ...
We report a study by electron paramagnetic resonance on the E0 point defect in amorphous silicon di...
International audienceUsing ab initio calculations on 108 atoms pure- and Ge-doped (2.8 mol%) silica...
The E′δ center is one of the most important paramagnetic point defects in amorphous silicon dioxide ...
A completely first-principles procedure for the creation of experimentally validated amorphous silic...
We present a first-principles systematic study of the electronic structure of SiO(2) including the c...
We present the first-principle electronic structure calculation on an amorphous material including m...
We performed a first-principles molecular dynamics study of liquid SiO2 at a temperature of 3500 K, ...
We present a first-principles systematic study of the electronic structure of SiO2 including the cry...
Using classical and ab initio calculations we demonstrate that extra electrons can be trapped in pur...
International audienceA first-principles investigation of E′ centers in vitreous silica (v−SiO2) bas...
The point-like defects known as E' centers are the most abundant natural defects in silicon dioxide ...
Using classical and ab initio calculations we demonstrate that extra electrons can be trapped in pur...
We conduct a thorough investigation of the tunneling dynamics of oxide traps in a-SiO2, in particula...
We report an experimental study by electron paramagnetic resonance (EPR) of E'_delta point defect in...
We report a study by electron paramagnetic resonance on the E0 point defect in amorphous silicon ...
We report a study by electron paramagnetic resonance on the E0 point defect in amorphous silicon di...
International audienceUsing ab initio calculations on 108 atoms pure- and Ge-doped (2.8 mol%) silica...
The E′δ center is one of the most important paramagnetic point defects in amorphous silicon dioxide ...
A completely first-principles procedure for the creation of experimentally validated amorphous silic...
We present a first-principles systematic study of the electronic structure of SiO(2) including the c...
We present the first-principle electronic structure calculation on an amorphous material including m...
We performed a first-principles molecular dynamics study of liquid SiO2 at a temperature of 3500 K, ...
We present a first-principles systematic study of the electronic structure of SiO2 including the cry...
Using classical and ab initio calculations we demonstrate that extra electrons can be trapped in pur...
International audienceA first-principles investigation of E′ centers in vitreous silica (v−SiO2) bas...
The point-like defects known as E' centers are the most abundant natural defects in silicon dioxide ...