Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3$d$ Transition Metal Atoms

@article{Kaloni2014TuningTS,
  title={Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3\$d\$ Transition Metal Atoms},
  author={Thaneshwor P. Kaloni},
  journal={arXiv: Materials Science},
  year={2014}
}
  • T. P. Kaloni
  • Published 1 October 2014
  • Materials Science, Physics
  • arXiv: Materials Science
The structural, electronic, and magnetic properties of 3$d$ transition metal (TM) atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) adsorbed germanene are addressed using density functional theory. Based on the adsorption energy, TM atoms prefer to occupy at the hollow site for all the cases. The obtained values of the total magnetic moment vary from 0.97 $\mu_B$ to 4.95 $\mu_B$ in case of Sc to Mn-adsorption, respectively. A gap of 74 meV with a strongly enhanced splitting of 67 meV is… 
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