Acceptor and Donor Impurity States in Group V and VII Atom-doped Two-dimensional GeSe Monolayer

doi:10.19596/j.cnki.1001-246x.7961

Abstract

Abstract: With first-principles calculations, we investigate characteristics of n-and p-type impurities by means of group V and VII atoms substituting selenide atoms in GeSe monolayer. It shows that formation energy increases with increasing impurity atomic size. For group V atom-doped GeSe monolayer systems, calculated transition levels indicate that F, Cl, Br or I dopant provides n-type deeper donor impurity states. However, for group VII atom-doped cases, N, P or As dopant provides n-type shallow acceptor impurity states. It provides theoretical reference for related experimental research.

Key words: GeSe monolayer, impurity states, first-principles calculations

CLC Number:

O471.5

XIONG Zonggang, DU Juan, ZHANG Xianzhou. Acceptor and Donor Impurity States in Group V and VII Atom-doped Two-dimensional GeSe Monolayer[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2019, 36(6): 733-741.

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