AEMnSb(2) (AE = Sr, Ba): a new class of Dirac materials

Abstract

The Dirac fermions of Sb square net in AEMnSb(2) (AE = Sr, Ba) are investigated by using first-principles calculation. BaMnSb2 contains Sb square net layers with a coincident stacking of Ba atoms, exhibiting Dirac fermion behavior. On the other hand, SrMnSb2 has a staggered stacking of Sr atoms with distorted zig-zag chains of Sb atoms. Application of hydrostatic pressure on the latter induces a structural change from a staggered to a coincident arrangement of AE ions accompanying a transition from insulator to a metal containing Dirac fermions. The structural investigations show that the stacking type of cation and orthorhombic distortion of Sb layers are the main factors to decide the crystal symmetry of the material. We propose that the Dirac fermions can be obtained by controlling the size of cation and the volume of AEMnSb(2) compounds.