Table 1 Tight-binding parameters for pyrochlore Pb\(_2\)X\(_2\)O\(_7\) (X = As, Sb, Sn).

From: New three-dimensional flat band candidate materials Pb2As2O7 and Pb2Sn2O7

 

Pb\(_2\)X\(_2\)O\(_7\)

X = As

X = Sb

X = Sn

\(\epsilon ,t\)

Distance

\(\epsilon ,t\)

Distance

\(\epsilon ,t\)

Distance

\(\epsilon ^\textrm{Pb}\)

\(-0.44\)

On-site

\(-0.57\)

On-site

\(-0.018\)

On-site

\(\epsilon ^\textrm{X}\)

0.78

On-site

1.49

On-site

  

\(t_1^{\mathrm {Pb-Pb}}\)

\(-0.18\)

0.3535a

\(-0.26\)

0.3535a

\(-0.13\)

0.3535a

\(t_2^{\mathrm {Pb-Pb}}\)

\(-0.06\)

0.6142a

\(-0.02\)

0.6142a

\(-0.05\)

0.6142a

\(t_1^{\mathrm {X{-}X}}\)

\(-0.34\)

0.3535a

\(-0.36\)

0.3535a

  

\(t_2^{\mathrm {X{-}X}}\)

\(-0.06\)

0.6142a

\(-0.04\)

0.6142a

  

\(t_1^{\mathrm {Pb{-}X}}\)

\(-0.06\)

0.5a

\(-0.08\)

0.5a

  

\(t_2^{\mathrm {Pb{-}X}}\)

\(-0.01\)

0.6142a

0.02

0.6142a

  
  1. Eight-orbital MLWF model is adopted for Pb\(_2\)As\(_2\)O\(_7\) and Pb\(_2\)Sb\(_2\)O\(_7\), and four-orbital MLWF model is adopted for Pb\(_2\)Sn\(_2\)O\(_7\). All energy units are electron volt. The distance is expressed in units of the lattice parameter a.