band structure 2
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Figure 1 : CrystalStructure of theprototype AMX3perovskite emphasizingthe corner sharing
connectivity of the[MX!
"# units an$ the
A' cation function as structuraltemplates an$ their shape( sizean$ charge $istri&ution arecrucial factors for the sta&ilizationof the perovskite structure)
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*$eal cu&ic archetype structure[m#+#m , 1-.o !
l structure of hali$e perovskites follo/ing the se0uential phase transitions fromote$ α to the $istorte$ β MA2&*3)
he perovskite un$ergo a
series of structuralchanges upon applicationof e+ternal stimuli
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he 4an$ gap
• 5e6ne$ &y the or&ital overlap &et/een the metal an$ the hali$e ions
• A cations $o not $irectly contri&ute to the electronic properties
• 5ecreases /ith increasing atomic mass
• 4an$ gap $ecreases /ith increasing atomic mass
• 7o/ever in the case of AMX3 Sn have narro/er &an$ gaps than the heavi
2& materials• Sn , 11-)81 u 1)% 1)" ev• 2& , %.8)% u 1)"9 1)8ev
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α phase un$istorte$ perovskiteβ phase 1st phase transitionγ phase # %n$ phase transitionδ phase non perovskite structure
A cation in$irect contri&ution steric Coulum&ic interactions ;ctahe$ral tilting
changes in the electronic stucture &an$gap energetics