Memorias de investigación
Artículos en revistas:
Static and dynamic ionization levels of transition metal-doped zinc chalcogenides
Año:2010
Áreas de investigación
  • Química
Datos
Descripción
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.
Internacional
Si
JCR del ISI
Si
Título de la revista
THEORETICAL CHEMISTRY ACCOUNTS
ISSN
1432-881X
Factor de impacto JCR
2,584
Información de impacto
Volumen
125
DOI
Número de revista
Desde la página
23
Hasta la página
34
Mes
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Participantes
Grupos de investigación, Departamentos, Centros e Institutos de I+D+i relacionados
  • Creador: Grupo de Investigación: Silicio y Nuevos Conceptos para Células Solares
  • Centro o Instituto I+D+i: Instituto de Energía Solar