1
$\begingroup$

I have read that this remarkable compound has relativistic electron orbitals. But is there any data about the energy bandgap structure? Or moreover, is it known if this material has conductive/semiconductive properties?

$\endgroup$

1 Answer 1

1
$\begingroup$

I'm not sure quite how 'remarkable' the CsAu compound is - there are many alloys among the heavier elements. Whether the electrons are 'relativistic' or not has little to do with how their orbitals behave.

But, on the Au-Cs phase diagram (see A.D. Pelton in Binary Alloy Phase Diagrams, II edition, Ed. T.B. Massalski), both CsAu and CsAu$_{5}$ compounds exist. The CsAu phase is in the CsCl structure, with interpenetrating simple cubic sublattices. This phase is transparent and non-metallic. Even the liquid at this composition shows a dramatic reduction in conductivity (and a large decrease in volume) indicating a molten-salt like behavior.

Measurements by W.E Spicer in Physical Review indicate that CsAu is indeed a semiconductor with a bandgap of about 2.6eV, and it is likely a direct gap. These experimental results were not far off of calculations by V.E. Wood and J.R. Reitz in 1962. It is considered a highly ionic compound as confirmed by XPS measurements by G.K. Wertheim et al.

$\endgroup$
1

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service and acknowledge you have read our privacy policy.

Not the answer you're looking for? Browse other questions tagged or ask your own question.