hP3-Se (Direct)

hP3–Se (Direct)

Image of hP3–Se (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 1.1350732941~\hat{z}\\\end{split}\]

Space Group: 152

Point Group of Structure: \(32\)

Structure DOI: https://doi.org/10.1103/PhysRevB.16.4404

Source: Inorganic Crystallographic Database #40018

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 15-16

Below is the band structure and isosurface of hP3–Se (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.3\) and filling fraction \(\phi = 0.341\).

Band Structure across first Brillouin Zone.

View along \(a_1\).