Pith. sign in

REVIEW

Modeling of Lead Halide Perovskites for Photovoltaic Applications

Not yet reviewed by Pith; the record is open.

This paper has not been read by Pith yet. Machine review is queued; the pith claim, tier, and objections will appear here once it completes.

SPECIMEN: schema-true, not a live event

T0 review · schema-true

One-sentence machine reading of the paper's core claim.

pith:XXXXXXXX · record.json · timestamp

arxiv 1405.1706 v2 pith:POWXZDOR submitted 2014-05-07 cond-mat.mtrl-sci

Modeling of Lead Halide Perovskites for Photovoltaic Applications

classification cond-mat.mtrl-sci
keywords potentialhalideleadagreementapplicationsappropriateaugmentedband
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
0 comments
read the original abstract

We report first-principles calculations, using the full potential linear augmented plane wave method, on six lead halide semiconductors, namely, CH3NH3PbI3, CH3NH3PbBr3, CsPbX3 (X=Cl, Br, I), and RbPbI3. Exchange is modeled using the modified Becke-Johnson potential. With an appropriate choice of the parameter that defines this potential, an excellent agreement is obtained between calculated and experimental band gaps of the six compounds. We comment on the possibility that the cubic phase of CsPbI3, under hydrostatic pressure, could be a topological insulator.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.