Fig. 3: Theoretical simulations of the charge density difference in intercalated FGT. | npj 2D Materials and Applications

Fig. 3: Theoretical simulations of the charge density difference in intercalated FGT.

From: Magnetic properties of intercalated quasi-2D Fe3-xGeTe2 van der Waals magnet

Fig. 3

a, b Charge density difference (\(\triangle {\rm{\rho }}={\rm{\rho }}\left({\rm{FGT}}+{\rm{TBA}}\right)-{\rm{\rho }}\left({\rm{FGT}}\right)-{\rm{\rho }}({\rm{TBA}})\), where \({\rm{\rho }}\left({\rm{FGT}}+{\rm{TBA}}\right)\) is the total charge density of FGT plus TBA, \({\rm{\rho }}\left({\rm{FGT}}\right)\) is the charge density of the isolated FGT system, and \({\rm{\rho }}({\rm{TBA}})\) is the charge density of the TBA molecules) through iso-surface and planar average along the z direction, respectively. In a, green and blue iso-surfaces correspond to positive and negative charge, respectively.

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