Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

P-d Coupling in II-VI SC

  1. Jan 9, 2009 #1
    Hello all,

    I am beginning a study on II-VI semiconductors and I have read numerous theoretical papers that mention the importance of p-d coupling, in particular the need to include the cation d states in the valency in order to accurately predict ground state properties (i.e lattice constant, bulk modulus, etc.) using say LDA-DFT. Despite this, there is still some draw backs, as comparison to experiment results in ~3 eV error in the location of these d states in the band structure. My question, does anyone know if there is any experimental evidence to support this so-called p-d coupling?

    Thanks in advance
  2. jcsd
Know someone interested in this topic? Share this thread via Reddit, Google+, Twitter, or Facebook

Can you help with the solution or looking for help too?
Draft saved Draft deleted

Similar Discussions: P-d Coupling in II-VI SC
  1. P orbitals (Replies: 30)

  2. +/- in p orbitals (Replies: 3)