Band Theory of Graphite. II. Pressure Effects on the Fermi Surface

Abstract

The pressure coefficients of the band parameters γ 0 ∼γ 5 and Δ of graphite have been calculated from first principles by an OPW-like method of band calculation. As for γ 1 and γ 2 the obtained values (dlog γ 1 /dP=0.020 and dlog |γ 2 |/dP=0.036 kbar -1 ) are of the same magnitude as earlier estimates, but dlog | Δ |/dP (obtained to be 0.031 kbar -1 ) is much smaller than previously reported values.