DFT+U and spin-dynamics simulations find an antiferromagnetic J1-J2 Heisenberg model for CaMn2P2 whose ground state is a spin spiral with q=(1/6,1/6,0), and predict a spin-liquid-like phase at large frustration.
Thus the spin moment of Mn arises from the five un- paired spin, giving rise to a significantly high value of 4.28µB
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Neel order, spin-spiral, and spin liquid ground state in frustrated three dimensional system CaMn2P2: A DFT+U and spin dynamics study
DFT+U and spin-dynamics simulations find an antiferromagnetic J1-J2 Heisenberg model for CaMn2P2 whose ground state is a spin spiral with q=(1/6,1/6,0), and predict a spin-liquid-like phase at large frustration.