Dynamics of photoinduced gap states and self-trapped excitons in MX chain compounds with degenerate and nondegenerate CDW ground states

1997 ◽  
Author(s):  
Hiroshi Okamoto ◽  
Yusei Kaga ◽  
Yasuo Oka ◽  
Masahiro Yamashita ◽  
Tadaoki Mitani
Keyword(s):  
Ground States ◽  
Chain Compounds ◽  
Gap States

Dynamics of photoinduced gap states and self-trapped excitons in the MX chain compounds with degenerate and non-degenerate CDW ground states

1997 ◽  
Vol 86 (1-3) ◽  
pp. 1923-1926 ◽  
Author(s):  
H. Okamoto ◽  
Y. Shimada ◽  
Y. Kaga ◽  
Y. Oka ◽  
M. Yamashita ◽  
...  
Keyword(s):  
Ground States ◽  
Chain Compounds ◽  
Gap States

MÖSSBAUER EFFECT STUDY OF OXALATO-BRIDGED Fe(II) CHAIN COMPOUNDS

1979 ◽  
Vol 40 (C2) ◽  
pp. C2-328-C2-330
Author(s):  
P. C.M. Gubbens ◽  
A. M. van der Kraan ◽  
J. A.C. van Ooijen ◽  
J. Reedijk
Keyword(s):  
Mössbauer Effect ◽  
Effect Study ◽  
Mossbauer Effect ◽  
Chain Compounds

Ground states for the ising model with an external field on the Cayley tree

2018 ◽  
Vol 2018 (3) ◽  
pp. 147-155
Author(s):  
M.M. Rakhmatullaev ◽  
M.A. Rasulova
Keyword(s):  
Ising Model ◽  
External Field ◽  
Cayley Tree ◽  
Ground States

scholarly journals Influence of growth flux solvent on anneal-tuning of ground states in CaFe2As2

2018 ◽  
Vol 2 (4) ◽  
Author(s):  
Connor Roncaioli ◽  
Tyler Drye ◽  
Shanta R. Saha ◽  
Johnpierre Paglione
Keyword(s):  
Ground States

scholarly journals Defect Processes in Halogen Doped SnO2

2021 ◽  
Vol 11 (2) ◽  
pp. 551
Author(s):  
Petros-Panagis Filippatos ◽  
Nikolaos Kelaidis ◽  
Maria Vasilopoulou ◽  
Dimitris Davazoglou ◽  
Alexander Chroneos
Keyword(s):  
Electronic Properties ◽  
Tin Oxide ◽  
Density Functional ◽  
Structural Changes ◽  
High Dielectric Constant ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Optical And Electronic Properties ◽  
High Dielectric ◽  
Gap States

In the present study, we performed density functional theory calculations (DFT) to investigate structural changes and their impact on the electronic properties in halogen (F, Cl, Br, and I) doped tin oxide (SnO2). We performed calculations for atoms intercalated either at interstitial or substitutional positions and then calculated the electronic structure and the optical properties of the doped SnO2. In all cases, a reduction in the bandgap value was evident, while gap states were also formed. Furthermore, when we insert these dopants in interstitial and substitutional positions, they all constitute a single acceptor and donor, respectively. This can also be seen in the density of states through the formation of gap states just above the valence band or below the conduction band, respectively. These gap states may contribute to significant changes in the optical and electronic properties of SnO2, thus affecting the metal oxide’s suitability for photovoltaics and photocatalytic devices. In particular, we found that iodine (I) doping of SnO2 induces a high dielectric constant while also reducing the oxide’s bandgap, making it more efficient for light-harvesting applications.

Sign in / Sign up

Export Citation Format

Share Document