Atomic and electronic structures of ternary iron arsenides $A$Fe${}_2$As${}_2$(001) surfaces ($A$=Ba, Sr, or Ca)

Miao Gao, Fengjie Ma, Zhong-Yi Lu +1

By the first-principles electronic structure calculations, we find that energetically the most favorable cleaved $A$Fe${}_2$As${}_2$(001) surface ($A$=Ba, Sr, or Ca) is $A$-terminated…