Theoretical Aspects of Conducting Polymers: Electronic Structure and Defect States

1985 ◽  
pp. 1-48 ◽  
Author(s):  
D. Baeriswyl
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Defect States

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

scholarly journals Ab initioStudies of Electronic Structure of Defects in PbTe

2005 ◽  
Vol 864 ◽  
Author(s):  
Salameh Ahmad ◽  
Daniel Bilc ◽  
S.D. Mahanti ◽  
M.G. Kanatzidis
Keyword(s):  
Electronic Structure ◽  
Valence Band ◽  
Conduction Band ◽  
Density Of States ◽  
Resonance State ◽  
Interesting Case ◽  
The Other ◽  
Defect States ◽  
Strong Resonance ◽  
Structure Calculations

AbstractAb initioelectronics structure calculations have been carried out in a series of RPb2n-1Te2n, n=16, compounds to understand the nature of “defect” states introduced by R where R = vacancy, monovalent Na, K, Rb, Cs, Ag atoms and divalent Cd atoms. We find that the density of states (DOS) near the top of the valence band and the bottom of the conduction band get significantly modified. The Na atom seems to perturb this region least (ideal acceptor in PbTe) and the other monovalent atoms enhance the DOS near the top of the valence band. Cd is an interesting case, since it introduces a strong resonance state near the bottom of the conduction band.

Electronic structure and intrinsic dielectric polarization of defect-engineered rutile TiO2

2021 ◽  
Author(s):  
Suman Mandal ◽  
Tomáš Skála ◽  
Krishnakumar S. R. Menon
Keyword(s):  
Electronic Structure ◽  
Electron Localization ◽  
Structure Defect ◽  
Dielectric Polarization ◽  
Defect States ◽  
Rutile Tio2 ◽  
Macroscopic Polarization ◽  
Co Doped

Electronic structure, defect-states, doped electron localization, and their connection with macroscopic polarization for Nb + In co-doped TiO2 are systematically investigated.

Electronic structure of pyrrole-based conducting polymers

1987 ◽  
Vol 18 (1-3) ◽  
pp. 71-76 ◽  
Author(s):  
J. Fink ◽  
B. Scheerer ◽  
W. Wernet ◽  
M. Monkenbusch ◽  
G. Wegner ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers

Electronic Structure of Defects in SnTe

2013 ◽  
Vol 701 ◽  
pp. 125-130
Author(s):  
Salameh Ahmad
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Valence Band ◽  
Fundamental Difference ◽  
Density Of State ◽  
Defect States ◽  
Deep Defect ◽  
Conduction Bands ◽  
Resonant States ◽  
Structure Calculations

Myab initioelectronic structure calculations inRSn2n-1Te2n, n=16, R = a vacancy, Cd, and In show that when Sn atom is substituted by R, the Density of State (DOS) of the valence and conduction bands get strongly perturbed. There are significant changes near the band gap region. Sn vacancy causes very little change near the bottom of the conduction band DOS whereas there is an increase in the DOS near the top of the valence band. Results for In impurity shows that, unlike PbTe, the deep defect states in SnTe are resonant states near the top of the valence band. In PbTe these deep defect states lie in the band-gap region (act asn-type). This fundamental difference in the position of the deep defect states in SnTe and PbTe explains the experimental anomalies seen in the case of In impurities (act asn-type in PbTe andp-type in SnTe).

Electronic structure of pyrrole-based conducting polymers: An electron-energy-loss-spectroscopy study

1986 ◽  
Vol 34 (2) ◽  
pp. 1101-1115 ◽  
Author(s):  
J. Fink ◽  
B. Scheerer ◽  
W. Wernet ◽  
M. Monkenbusch ◽  
G. Wegner ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Energy Loss ◽  
Conducting Polymers ◽  
Electron Energy ◽  
Electron Energy Loss Spectroscopy ◽  
Spectroscopy Study ◽  
Electron Energy Loss
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