Research Publications in journals:
Static and dynamic ionization levels of transition metal-doped zinc chalcogenides
Year:2010
Research Areas
- Chemistry
Information
|
Abstract
|
|
|---|---|
| Transition metal (TM) impurities in semiconductors have a considerable effect on the electronic properties and on the lattice vibrations. The unfilled d shell permits the impurity atoms to exist in a variety of charge states. In this work, the static donor and acceptor ionization energies of ZnX: M, with X = S, Se, Te and M:Sc, Ti, V, Fe, Co, Ni are obtained from first principles total energy calculations and compared with experimental results in the literature where they exist. From these results, many of the TM-doped zinc chalogenides have an amphoteric behavior. To analyze the rule of the deep gap levels in both the radiative and non-radiative processes, the dynamic ionization energies are obtained as a function of the inward and outward M-X displacements. In many cases, the changes in the mass and the force constants resulting from the substitution of an impurity center for a lattice atom are small. When the charge or the environment of the impurity changes, the electron population tend to remain compensated. As consequence, the changes in the lattice vibrational modes are small. | |
|
International
|
Si |
|
JCR
|
Si |
|
Title
|
THEORETICAL CHEMISTRY ACCOUNTS |
|
ISBN
|
1432-881X |
|
Impact factor JCR
|
2,584 |
|
Impact info
|
|
|
Volume
|
125 |
|
|
|
|
Journal number
|
|
|
From page
|
23 |
|
To page
|
34 |
|
Month
|
ENERO |
|
Ranking
|
|
Open Access publication
Participants
- Autor: Cesar Tablero Crespo UPM
Research Group, Departaments and Institutes related
- Creador: Grupo de Investigación: Silicio y Nuevos Conceptos para Células Solares
- Centro o Instituto I+D+i: Instituto de Energía Solar