Interface properties of two-dimensional metal in contact with CrCl3
To modulate the potential barrier at the interface between metal and CrCl3,a method for forming van der Waals contact with CrCl3 using two-dimensional metal MX2(M=V,Nb;X=S,Se,Te)as elec-trode was proposed.The electrical properties of CrCl3/MX2 contact interface were studied using density func-tional theory.The results show that CrCl3/VS2,CrCl3/VSe2 and CrCl3/NbTe2 form n-type Schottky con-tacts,the n-type Schottky barrier values are 0.49,0.15 and 0.14 eV,respectively.CrCl3/NbS2 and CrCl3/NbSe2 form p-type Schottky contacts,the p-type Schottky barrier values are 0.49 and 0.65 eV,re-spectively.CrCl3/VTe2 forms ohmic contacts.The negligible metal induced gap states and small interface dipoles at CrCl3/MX2 interface indicate a weak Fermi level pinning effect in CrCl3/MX2,which makes the Schottky barrier height adjustable in a large range.Therefore,by selecting two-dimensional metal electrodes with different work functions,the control of contact type and Schottky barrier height can be achieved in CrCl3/MX2 contacts.The results is helpful to understand the barrier regulation of CrC13/MX2 contact by dif-ferent two-dimensional metal electrodes.
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