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Abstract:
The magnetic topological insulator EuSn2As2 is known to crystallize in a Bi2Te3-type layered structure in rhombohedral symmetry at ambient conditions and undergo a structural phase transition toward a monoclinic )5phase under increasing pressure. Here, we identify by ab initio calculations a new high-pressure rhombohedral structure (termed the gamma phase) in R3 over bar m symmetry comprising Sn-As-As-Sn linear chains along the z axis via the formation of As-As bonds in the AsSn/SnAs bilayers with strong anisotropic lattice distortion along the [001] orientation. This pressure-densified new rhombohedral phase has a metallic A-type antiferromagnetic ground state and is energetically more favorable than the original rhombohedral structure and the monoclinic )5 phase above 11 GPa. Simulated x-ray diffraction patterns provide an excellent match to the previously unexplained distinct diffraction peak around 14.7 degrees found in experiments for EuSn2As2 above 13 GPa. These findings offer key insights into a new type of high-pressure phase of layered magnetic topological insulators, laying a foundation for further exploration of this intriguing class of materials.
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PHYSICAL REVIEW B
ISSN: 2469-9950
Year: 2021
Issue: 22
Volume: 104
3 . 7 0 0
JCR@2022
ESI Discipline: PHYSICS;
ESI HC Threshold:72
JCR Journal Grade:2
Cited Count:
WoS CC Cited Count: 5
SCOPUS Cited Count: 5
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 11
Affiliated Colleges: