CrO Minimal Structure-Derived Tight-Binding Report

This report uses the supplied CIF file, expands the crystallographic symmetry to 4 Cr + 4 O sites, assigns one effective orbital to each site, and keeps only nearest Cr-O hoppings. The plotted direct gap from the sampled 3D Brillouin zone is 2.400000.

Interactive Real Space

Static Real Space

CrO real-space structure

Band Structure (G-X-M-G-Z-R-A-Z)

CrO band structure

kz = 0 Reciprocal Slice

CrO reciprocal-space slice

Interactive 3D Reciprocal Volume

Calculation Formulas

Open the formula file directly

Density of States

CrO DOS