hP5-Nd2O3 (Direct)

hP5–Nd2O3 (Direct)

../_images/structure187.jpg

Image of hP5–Nd2O3 (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 1.5651041726~\hat{z}\\\end{split}\]

Space Group: 150

Point Group of Structure: \(32\)

Structure DOI: https://doi.org/10.1515/zpch-1926-12309

Source: Crystallographic Open Database #1010281

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16184.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14185.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12152.png

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

Gap between Bands 19-20

Below is the band structure and isosurface of hP5–Nd2O3 (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.21\) and filling fraction \(\phi = 0.143\).

../_images/band_diagram_b=194.jpg

Band Structure across first Brillouin Zone.

../_images/hP5-Nd2O3@gap_19-20.png

View along \(a_1\).