The ionization of dopants is a crucial process for electronics,yet it can be unexpectedly difficult in two-dimensional materials due to reduced screening and dimensionality.Using first-principles calculations,here we ...The ionization of dopants is a crucial process for electronics,yet it can be unexpectedly difficult in two-dimensional materials due to reduced screening and dimensionality.Using first-principles calculations,here we propose a dopant ionization process for twodimensional semiconductors where charge carriers are only excited to a set of defect-bound band edge states,rather than to the true band edge states,as is the case in three-dimensions.These defect-bound states have small enough ionization energies but large enough spatial delocalization.With a modest defect density,carriers can transport through band by such states.展开更多
基金Work in China was supported by National Natural Science Foundation of China(No.11874171,No.11504368,No.61775077,and No.11704111)D.W.and S.Z.were supported by the Department of Energy under Grant No.DE-SC0002623W.Q.T.thanks support from the Open Project of Key Laboratory of Polyoxometalate Science of Ministry of Education(NENU)and State Key laboratory of Supramolecular Structure and Materials(JLU)(No.SKLSSM201818).
文摘The ionization of dopants is a crucial process for electronics,yet it can be unexpectedly difficult in two-dimensional materials due to reduced screening and dimensionality.Using first-principles calculations,here we propose a dopant ionization process for twodimensional semiconductors where charge carriers are only excited to a set of defect-bound band edge states,rather than to the true band edge states,as is the case in three-dimensions.These defect-bound states have small enough ionization energies but large enough spatial delocalization.With a modest defect density,carriers can transport through band by such states.
