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이재일(Jae Il Lee),조이현(Li-Hyun Cho),홍순철(Soon C. Hong) 한국자기학회 1993 韓國磁氣學會誌 Vol.3 No.3
The structural and electronic properties of the Li monolayer have been studied using the total energy FLAPW(Full-Potential Linearized Augmented Plane Wave) band method. It is found that the triangular lattice is more stable than the square lattice from the result of total energy calculation by varying the Wigner-Seitz radius, r_s. The equilibrium Wigner-Seitz radius r_s for the triangular lattice is calculated to be 3.7 a.u. From the spin polarized calculation it is also found that the metallic ferromagnetic transition and the full spin polarization occur at r_s=4.2 u. and at r_s=5.3 a.u., respectively.