mC4-ReS2 (Inverse)

mC4–ReS2 (Inverse)

../_images/structure339.jpg

Image of mC4–ReS2 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= 1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 0.0002008312~\hat{x} + 0.0001402588~\hat{y} + 1.6130661321~\hat{z}\\\end{split}\]

Space Group: 12

Point Group of Structure: \(2/m\)

Structure DOI: https://doi.org/10.1021/ic00097a037

Source: Inorganic Crystallographic Database #75459

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16334.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14335.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12281.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10217.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-8144.png

Gap Atlas for \(\varepsilon\) = 8 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 16-17

Below is the band structure and isosurface of mC4–ReS2 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.51\) and filling fraction \(\phi = 0.208\).

../_images/band_diagram_b=1661.jpg

Band Structure across first Brillouin Zone.

../_images/mC4-ReS2_r@gap_16-17.png

View along \(a_1\).