Table 1 The tight-binding hopping parameters \({t}_{i{j}_{x}}\) describe hopping from an orbital of type i to one of type j along direction x, where ij [fdp] and x [abc]

From: Pressure-enhanced f-electron orbital weighting in UTe2 mapped by quantum interferometry

 

Atom

ff

fd

fp

dd

dp

pp

\({t}_{{U}_{a}}\)

U-U

–0.0375

-0.025

–0.3

\({t}_{{U}_{b}}\)

U-U

\({t}_{{U}_{c}}\)

U-U

–0.05

–0.075

-1.2

\({t}_{{U}_{p}}\)

U-U

–0.05

–0.15

-0.1

tUTe

U-Te

0.005

–0.1

\({t}_{T{e}_{b1}}\)

Te-Te

1.6

\({t}_{T{e}_{b2}}\)

Te-Te

0.7

 

Atom

ϵ

\({\epsilon }_{{U}_{f}}\)

U

0.825

\({\epsilon }_{{U}_{d}}\)

U

1.025

\({\epsilon }_{T{e}_{p}}\)

Te

–1.075

  1. The on-site potential for the ith orbital is denoted by ϵi. Initial parameters were based on those reported by Ishizuka et al.50 and iteratively refined to better fit quantum oscillation data (Fig. S2). The final parameters were rescaled to match the bandstructure from GGA+U calculations including spin-orbit coupling (Fig. 4)52. All values are expressed in electron volts (eV).