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Title: Directional effects of antiferromagnetic ordering on the electronic structure in NdSb

Journal Article · · Physical Review. B

The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered NdBi raised the interest in rare-earth monopnictides. Several scenarios of antiferromagnetic (AFM) order have been suggested to explain the origin of these states with some of them being consistent with the presence of nontrivial topologies. Here, in this paper, we use angle-resolved photoemission spectroscopy (ARPES) and density-functional-theory (DFT) calculations to investigate the electronic structure of NdSb. We found the presence of distinct domains that have different electronic structures at the surface. These domains correspond to different orientations of magnetic moments in the AFM state with respect to the surface. We demonstrated remarkable agreement between DFT calculations and ARPES that capture all essential changes in the band structure caused by the transition to a magnetically ordered state.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
Grant/Contract Number:
AC02-07CH11358
OSTI ID:
1998934
Report Number(s):
IS-J--11,143
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 11 Vol. 108; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (49)

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
High-temperature solution growth of intermetallic single crystals and quasicrystals journal May 2001
WannierTools: An open-source software package for novel topological materials journal March 2018
Magnetic structure of the NaCl-type NdSb compound journal November 2009
Multiple Dirac cones at the surface of the topological metal LaBi journal January 2017
Devil's staircase transition of the electronic structures in CeSb journal June 2020
Possible Weyl fermions in the magnetic Kondo system CeSb journal July 2017
Emergence of Fermi arcs due to magnetic splitting in an antiferromagnet journal March 2022
Tunable electronic structure and topological properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi) journal November 2018
Unconventional surface state pairs in a high-symmetry lattice with anti-ferromagnetic band-folding journal April 2023
Hydrostatic pressure effects and neutron diffraction studies of CeBi phase diagram journal May 1979
Magnetic Properties of CeBi, NdBi, TbBi, and DyBi journal March 1971
Neutron Diffraction Studies on DySb, NdSb, and CeSb conference January 1972
Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy journal March 2014
Growth of single crystals from metallic fluxes journal June 1992
Use of frit-disc crucibles for routine and exploratory solution growth of single crystalline samples journal December 2015
Magnetisation and magneto-transport measurements on CeBi single crystals journal December 2021
Magnetic properties of Nd-group V compounds journal December 1973
Magnetic ordering of neodymium monopnictides determined by neutron diffraction journal February 1973
Quick iterative scheme for the calculation of transfer matrices: application to Mo (100) journal May 1984
Highly convergent schemes for the calculation of bulk and surface Green functions journal April 1985
New materials physics journal November 2019
Inhomogeneous Electron Gas journal November 1964
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Unusual change in the Dirac-cone energy band upon a two-step magnetic transition in CeBi journal September 2019
Prediction of spin polarized Fermi arcs in quasiparticle interference in CeBi journal December 2020
Spin-polarized imaging of strongly interacting fermions in the ferrimagnetic state of the Weyl candidate CeBi journal February 2022
Behavior of gapped and ungapped Dirac cones in the antiferromagnetic topological metal SmBi journal August 2022
Rare-earth monopnictides: Family of antiferromagnets hosting magnetic Fermi arcs journal September 2022
Complex electronic structure evolution of NdSb across the magnetic transition journal December 2022
Special points for Brillouin-zone integrations journal June 1976
Phase diagram and magnetic structures of CeSb journal July 1977
Phase diagram of NdSb: Type-I fcc antiferromagnet in a magnetic field journal December 1985
Projector augmented-wave method journal December 1994
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal August 1995
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
High-resolution angle-resolved photoemission spectroscopy of CeBi journal October 1996
Maximally localized generalized Wannier functions for composite energy bands journal November 1997
Maximally localized Wannier functions for entangled energy bands journal December 2001
Large magnetoresistance in the antiferromagnetic semimetal NdSb journal May 2016
Asymmetric mass acquisition in LaBi: Topological semimetal candidate journal August 2016
Presence of exotic electronic surface states in LaBi and LaSb journal October 2016
Evidence of topological insulator state in the semimetal LaBi journal March 2017
Electronic structure of R Sb ( R = Y , Ce, Gd, Dy, Ho, Tm, Lu) studied by angle-resolved photoemission spectroscopy journal July 2017
Field-induced metamagnetic transition and nonsaturating magnetoresistance in the antiferromagnetic semimetal NdSb journal November 2017
Topological semimetal state and field-induced Fermi surface reconstruction in the antiferromagnetic monopnictide NdSb journal March 2018
Experimental Determination of the Topological Phase Diagram in Cerium Monopnictides journal February 2018
Generalized Gradient Approximation Made Simple journal October 1996
Predicted Weyl fermions in magnetic GdBi and GdSb journal November 2017