Table 1 |
||||
| The total energy difference ΔE(ΔE = EAFM−EFM) 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 Nanoscale Research Letters 2009 4:480 doi:10.1186/1556-276X-4-480
