Topological semimetal state with triply degenerate nodal points in a stable Cu2Te structure

Literature Information

Publication Date 2021-01-05
DOI 10.1039/D0CP05622G
Impact Factor 3.676
Authors

Yiming Mi


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Abstract

Cu2Te is commonly used as the backside contact of CdTe-based solar cells. We predict a stable topological semimetal structure of Cu2Te(R3m) with triply degenerate nodal points near the Fermi energy. Triply degenerate nodal points are formed by the band crossing between two states with angular momentum j equal to 3/2 and 1/2 along the unique C3 axis. The anisotropic strain breaking C3 symmetry opens the energy gap, and transforms semimetal Cu2Te(R3m) into a topological insulator. It provides strong evidence for understanding the unconventional large linear magnetoresistance in Cu2−xTe. The band crossing of Cu2Te(R3m) strongly depends on the orbital on-site energy difference and the SOC strength. Crystal structures with the space group R3m (no. 160) are a good platform to obtain topological semimetals with triply degenerate nodal points. Compounds X2Y (X = Cu, Ag, Au, Y = O, S, Se, Te) except for Au2S and Cu2O are topological semimetals with triply degenerate nodal points around the Fermi energy.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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