Bs. Fang et al., SPIN-ORBIT EFFECTS ON ELECTRONIC-STRUCTURES NEAR E(F) FOR NB(001), Physical review. B, Condensed matter, 47(16), 1993, pp. 10671-10674
We report the discovery of the bulk states resolved from the surface r
esonance at GAMMABAR near the Fermi level (E(F)) for Nb(001) using a h
igh-resolution angle-resolved photoelectron analyzer. Two surface band
s merge from both the GAMMABAR XBAR and the GAMMABAR MBAR high-symmetr
y axes and become the surface resonance at -60 meV. The topology of th
ese surface bands suggests the possible influence of the spin-orbit in
teraction. The bulk state has not been predicted by nonrelativistic bu
lk-band calculations for Nb(001). We have carried out a relativistic c
alculation with the augmented-plane-wave method to look for the filled
hybridized bulk band splitting from GAMMA25'. The value of the bulk-s
tate wave vector is determined to be 0.3GAMMAH. A pseudogap appears wi
th a width around 0.10 eV, and the observed surface resonance is accom
modated inside this gap.