Open Access
Subscription Access
Pressure Induced Surface States and Wannier Charge Centers in Ytterbium Monoarsenide
We demonstrate that the XMR material ytterbium monoarsenide (YbAs) shows transitions from a trivial to a non-trivial topological phase with hydrostatic pressure of 20 GPa and maintains its topological character up to structural phase transition pressure. We observed band inversions close to the Fermi level at the X high symmetry point at 20 GPa and band parities are used to confirm the same with consideration of Spin-orbit coupling (SOC) effect. The evolution of the surface states and the bulk band structure in YbAs are discussed.
Keywords
Ytterbium monoarsenide; Topological phase; Fermi level; Spin-orbit coupling.
User
Font Size
Information
- Duan X, Wu F, Chen J, Zhang P, Liu Y, Yuan H & Cao C, Commun Phys, 1 (2018) 71.
- Khalid S, Sabino F P & Janotti A, Phys Rev B, 98 (2018) 220102(R).
- Guo P J, Yang H C, Liu K & Lu Z Y, Phys Rev B, 96 (2017) 081112(R).
- Wadhwa P, Kumar S, Shukla A & Kumar R, J Phys: Condens Matter, 31 (2019) 335401.
- Barone P, Rauch T, Sante D D, Henk J, Mertig I & Picozzi S, Phys Rev B, 88 (2013) 045207.
- Xie W,Wu Y,Du F, Wang A, Su H, Chen Y, Nie Z Y, Mo S K, Smidman M, Cao C, Liu Y, Takabatake T, Yuan H Q, Phys Rev B, 101 (2020) 085132.
- Singh M, Kumar R & Bibiyan R K, Eur Phys J Plus, 137 (2022) 633.
- Kresse G, Joubert D, Phys Rev B, 59 (1999) 1758.
- Kohn W & Sham L J, Phys Rev, 140 (1965) 1133. 10 Kresse G & Furthmü J, Phys Rev B, 54 (1996) 11169.
- Heyd J, Scuseria G E & Ernzerhof M, J Chem Phys, 118 (2003) 8207.
- Mostofi A A, Yates J R, Pizzi G, Lee Y S, Souza I, Vanderbilt D & Marzari N, Comput Phys Commun, 185 (2014) 2309.
- Wu Q, Zhang S, Song H F, Troyer M & Soluyanov A A, Comput Phys Commun, 224 (2018) 405.
- Fu L, Kane C L & Mele E J, Phys Rev Lett, 98 (2007) 106803.
Abstract Views: 92
PDF Views: 47