tI80-VP2O7 (Direct)

tI80–VP₂O₇ (Direct)

Image of tI80–VP₂O₇ (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 0.3874431288~\hat{z}\\\end{split}\]

Space Group: 122

Point Group of Structure: \(\bar{42}m\)

Structure DOI: http://crystallography-online.com/structure/1530205

Source: Crystallographic Open Database #1530205

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

Gap Atlas for \(\varepsilon\) = 16 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 14\)

Gap Atlas for \(\varepsilon\) = 14 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 12\)

Gap Atlas for \(\varepsilon\) = 12 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 10\)

Gap Atlas for \(\varepsilon\) = 10 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 16-17

Below is the band structure and isosurface of tI80–VP₂O₇ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.1\) and filling fraction \(\phi = 0.387\).

Band Structure across first Brillouin Zone.

View along \(a_1\).