aP4-Li (Direct)

aP4–Li (Direct)

../_images/structure196.jpg

Image of aP4–Li (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x} + 0.0001~\hat{y} - 0.0004~\hat{z}\\ a_2 &= 1.0009~\hat{y}\\ a_3 &= 1.0003~\hat{z}\\\end{split}\]

Space Group: 1

Point Group of Structure: \(1\)

Structure DOI: https://doi.org/10.1021/nn204012y

Source: Found in Simulation

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16193.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14194.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12159.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10125.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-874.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 aP4–Li (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.285\) and filling fraction \(\phi = 0.387\).

../_images/band_diagram_b=1636.jpg

Band Structure across first Brillouin Zone.

../_images/aP4-Li@gap_16-17.png

View along \(a_1\).