Electronic structure and magnetic properties of (Cu, N)-codoped 3C-SiC studied by first-principles calculations

Abstract

Electronic structure and magnetic properties of (Cu, N)-codoped 3C-SiC studied by first-principles calculations *Feng-chun Pan(潘凤春), Zhi-peng Chen(陈治鹏), Xue-ling Lin(林雪玲) † , Fu Zheng(郑富), Xu-ming Wang(王旭明), and Huan-ming Chen(陈焕铭)

Stability, elastic anisotropy, and electronic properties of Ca 2 C 3

“…The binary carbide consisting of metal or nonmetal, has various intriguing properties in physics and chemistry, and thus a large number of promising structures have been studied. The well-known nonmetal carbides, silicon carbides, [1][2][3][4][5][6][7] which are regarded as the third-generation semiconductor material, have been employed in the high temperature and voltage power devices and optical sensors, owing to the indirect wide band gap. Furthermore, the nano-SiC [2] also has obtained a wide application in superconductors and ceramics to enhance the critical current density or to utilize its refractory nature and low neutron absorption.…”

“…6, and the nonzero values in Table 2 suggest the elastic anisotropy. As can be seen from this table, these values are 0.978, 1.561, and 2.399 at 0, 12, and 24 GPa, respectively, indicating that the anisotropy increases with pressure rising.…”