tI48-GeS2 (Direct)

tI48–GeS₂ (Direct)

Image of tI48–GeS₂ (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -0.4514614769~\hat{x} + 0.4514614769~\hat{y} + 0.7696525643~\hat{z}\\ a_2 &= 0.4514614769~\hat{x} - 0.4514614769~\hat{y} + 0.7696525643~\hat{z}\\ a_3 &= 0.4514614769~\hat{x} + 0.4514614769~\hat{y} - 0.7696525643~\hat{z}\\\end{split}\]

Space Group: 122

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

Structure DOI: https://doi.org/10.1021/jacs.5b03550

Photonics DOI: Gap(s) for space group 122 above band 2 theorized in: https://doi.org/10.1103/PhysRevLett.121.263903,

Gap(s) above band(s) 8 not previously studied

Source: Crystallographic Open Database #4123671

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 Atlas for \(\varepsilon = 8\)

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

Gap Atlas for \(\varepsilon = 6\)

Gap Atlas for \(\varepsilon\) = 6 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 2-3

Below is the band structure and isosurface of tI48–GeS₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.15\) and filling fraction \(\phi = 0.341\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 8-9

Below is the band structure and isosurface of tI48–GeS₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.135\) and filling fraction \(\phi = 0.269\).

Band Structure across first Brillouin Zone.

View along \(a_1\).