Table 1

The total energy difference ΔEE = EAFMEFM) between AFM and FM states for each configuration is showed in the second column
Configuration ΔE(eV) Coupling Mag(TM1) Mag(TM2)
Nanowire
ZnCrO 0.275 FM 2.779 2.914
ZnFeO 0.031 FM 3.494 3.532
ZnCoO −0.239 AFM 2.238 −2.241
ZnNiO −0.041 AFM 1.229 −1.219
Bulk
ZnCrO 0.243 FM 3.112 3.105
ZnFeO −0.163 AFM 3.488 −3.510
ZnCoO −0.090 AFM 2.404 −2.392
ZnNiO 0.188 FM 1.552 1.548

The third column gives the preferred magnetic coupling between the TM atoms. The fourth and fifth columns give the magnetic moments (μB) of two TM atoms. The minus magnetic moments indicate that the two TMs have opposite spin

Shi and Duan

Shi and Duan Nanoscale Research Letters 2009 4:480-484   doi:10.1007/s11671-009-9260-7

Open Data