pith. sign in

arxiv: 0911.1526 · v1 · pith:5T73CL4Knew · submitted 2009-11-08 · ❄️ cond-mat.mtrl-sci

Properties of atomic intercalated carbon K4 crystals

classification ❄️ cond-mat.mtrl-sci
keywords atomiccarboncrystalsintercalatedalthoughanalysiscalculationsconducting
0
0 comments X
read the original abstract

The stability of atomic intercalated carbon $K_{4}$ crystals, XC$_{2}$ (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluated by geometry optimization and frozen phonon analysis based on first principles calculations. Although C $K_{4}$ is unstable, NaC$_{2}$ and MgC$_{2}$ are found to be stable. It is shown that NaC$_{2}$ and MgC$_{2}$ are metallic and semi conducting, respectively.

This paper has not been read by Pith yet.

discussion (0)

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