Mn2Ge2Te6 shows intrinsic ferromagnetic
(FM) order, with a Curie temperature (T
c) of 316 K. The FM order origins from superexchange interaction between
Mn and Te atoms. Mn2Ge2Te6 is half-metal
(HM), and spin-β electron is a semiconductor with a gap of 1.462
eV. Mn2Ge2Te6 tends to show in-plane
anisotropy (IPA), with a magnetic anisotropy energy (MAE) of −13.2
meV/f.u. Mn2Ge2Te6 shows good dynamical
and thermal stability. Moreover, Mn2Ge2Te6 presents good ferromagnetic and half-metallic stability under
charge doping. The carrier doping could effectively tune magnetic
and electronic properties. Specifically, the magnetic moment, exchange
parameter, and MAE could be efficiently tuned. The total magnetic
moment changes linearly with charge doping. The magnetic exchange
parameters could be controlled by the doping carriers. The carrier
doping could modulate MAE to −18.4 (+0.4 e), −0.85 (−1.6 e), and 1.31 (−2.4 e) meV/f.u., by changing hybridization between Te atom’s
p
y
and p
z
orbitals.
Mn2Ge2Te6 with intrinsic ferromagnetism,
high tunable MAE, good stability of ferromagnetism, and half-metallicity
could help researchers to investigate its wide application in electronics
and spintronics.