Effects of 3d-transition metal doping on the electronic and magnetic properties of one-dimensional diamond nanothread

Miao Zhenzhen¹, Cao Can², Zhang Bei¹, Duan Haiming^{1, †}, Long Mengqiu^{1, 2, ‡}

Electronic structures of different 3d TM atom-doped DNT, panels (a)–(h) refer to Sc, Ti, V, Cr, Mn, Fe, Co, Ni, respectively. The black and red lines describe the spin-up and spin-down bands.