Epitaxial fabrication of monolayer copper arsenide on Cu(111)

Zhang Shuai¹, Song Yang¹, Li Jin Mei², Wang Zhenyu¹, Liu Chen², Wang Jia-Ou², Gao Lei³, Lu Jian-Chen³, Zhang Yu Yang^{1, 4}, Lin Xiao^{1, 4, †}, Pan Jinbo^{1, ‡}, Du Shi Xuan^{1, 4}, Gao Hong-Jun^{1, 4, §}

Calculated electronic structures of free-standing monolayer CuAs. (a) The top view and side view of atomic structure of a monolayer CuAs. The black rhomb marks the unit cell of monolayer CuAs. (b), (c) The band structures of a free-standing monolayer CuAs without and with SOC. (d), (e) Projected band structure of a free-standing monolayer CuAs with SOC. (d) The two bands marked in red are contributed mainly by in-plane orbitals (As p_x/p_y and Cu d_xy/d_{x² – y²}). (e) The band marked in green is contributed mainly by out-of-plane orbitals (As p_z and Cu d_xz/d_yz).