{'fraction_non_alphanumeric': 0.03, 'fraction_numerical': 0.014444444444444444, 'mean_word_length': 5.213793103448276, 'pattern_counts': {'":': 0, '<': 0, '<?xml version=': 0, '>': 0, 'https://': 0, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
Electronic structures and optical properties of Ni-doped 4H-SiC: dispersion-corrected density functional theory investigations

Using DFT-GGA-PBE calculations we investigate the electronic structures and optical properties of Ni-doped 4H-SiC system. It is found that Ni-impurity at the Si site possesses the most considerate stability with the lower formation energy and bonding energy compared to Ni-impurity at C site. Charge density difference maps show that covalent characteristic of Ni–C bond decrease to some extent, which is highly consistent with the results of bond population values. Based on the higher dielectric loss (26.058) and static dielectric constant (77.565), Ni-doped 4H-SiC can be used as the candidate for absorbing materials, which can not only solve electromagnetic pollution effectively, but also has potential application value both in the field of aerospace and military.