Phototunable Magnetism in Copper Octacyanomolybdate

Figure 3

Ground-state phase diagrams as functions of the on-site Coulomb repulsions 𝑈_Cu and 𝑈_Mo, where 𝑡_CuCu=0.3𝑡_MoCu, 𝑉_MoCu=0.8𝑡_MoCu, 𝜀_Cu−𝜀_Mo=1.0𝑡_MoCu, and 𝐽_MoCu=𝐽^′_MoCu=−𝐽_CuCu=−𝐽^′_CuCu=0.6𝑡_MoCu. M-MoCu-AFM and M-MoCu-CDW each include two isoenergetic phases of 𝐴_𝑔 and 𝐵_𝑔 symmetry, referred to as (1) and (2), respectively. Phase boundaries drawn in black and red denote transitions of the first and second order, respectively. We calculate optical properties of the PM state labeled ×. The CDP state labeled ∘ is discussed later in connection with photoexcitation of the PM state.

(a)

(b)

(c)