Data di Pubblicazione:
2018
Abstract:
We present a comparative and detailed study of transition metal doping in CaFe2As2. Comparing with several experimental results and carefully analyzing how the states at the Fermi level are affected by doping we show that: i) simulation of real doping and considering induces structural relaxations are crucial to correctly address the physical mechanisms induced by transition metal substitutions; ii) different dopant concentration induces changes on the band structure that can not be described within a simple rigid-band picture; iii) careful comparison with the available ARPES results shows that the main effects on band filling and symmetry can be caught within
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Band fillings Chemical doping Dopant concentrations Main effect Physical mechanism Pnictides Transition metal doping Transition-metal substitution
Elenco autori:
Profeta, Gianni
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