The structural, electronic and optical properties of the [Formula: see text], [Formula: see text] and [Formula: see text] are studied by the spin-polarized first-principles calculation. The [Formula: see text] and [Formula: see text] are metals in tetragonal structures, while the [Formula: see text] in trigonal structure is half-metal with 100% spin polarization. The [Formula: see text] has the biggest static dielectric constant [Formula: see text] and static refractive index [Formula: see text], which may be ascribed to the highest crystal symmetry. The maximum absorption peaks of the [Formula: see text], [Formula: see text] and [Formula: see text] are located about 44 eV in the ultraviolet region, indicating these materials have good prospect for optoelectronic materials in the ultraviolet range.