journal article·2020-01-28

Transition from Semimetal to Semiconductor in ZrTe2 Induced by Se Substitution

Zahir Muhammad, Bo Zhang, Haifeng Lv, Huan Shan, Zia ur Rehman, Shuangming Chen, Zhe Sun, Xiaojun Wu, Aidi Zhao, Li Song

ACS Nano· Volume 14· Issue 1
Publisher page

Abstract

Two-dimensional layered transition-metal telluride can build stable metallic, metastable metallic, or semimetallic polymorphic crystal structures with enormous technological and scientific applications. Herein the hexagonal structures of zirconium ditelluride (ZrTe2) and ZrTe2(1–x)Se2x (0 ≤ x ≤ 1) single crystals were selectively synthesized through the chemical vapor transport method. The electronic band structures were systematically studied through angle-resolved photoemission spectroscopy (ARPES) combined with first-principles density functional theory (DFT) calculations. The ARPES results suggested a clear electronic phase transition from a semimetal to a semiconductor in ZrTe2(1–x)Se2x with the x value changing. Compared with pristine ZrTe2, the valence band splitting in ZrTe2(1–x)Se2x decreased at the Γ point due to the reduction of the spin–orbit interaction, whereas an indirect band gap opened in the vicinity of the Fermi level with the increase in Se concentration. Our DFT calculations further confirmed that the substituted Se atoms on Te sites could affect the band structure of ZrTe2 to induce a distinct transition from semimetal to semiconductor, suggesting their high potential for valleytronics applications.
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Research context

OpenAlex topics: 2D Materials and Applications · Inorganic Chemistry and Materials · Topological Materials and Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

National Synchrotron Radiation Laboratory, CAS Center for Excellence in Nanoscience, CAS Key Laboratory of Strongly coupled Quantum Matter Physics, University of Science and Technology of China, Hefei 230029, China

CAS Key Laboratory of Materials for Energy Conservation, Synergetic Innovation Centre of Quantum Information & Quantum Physics, CAS Center for Excellence in Nanoscience, and Department of Material Science and Engineering, University of Science and Technology of China, Hefei 230026, China

Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China

CAS Center for Excellence in Superconducting Electronics (CENSE), Shanghai 200050, China

Funding

Ministry of Science and Technology of the People's Republic of China · Hefei Center for Physical Science and Technology · China Scholarship Council · Ministero degli Affari Esteri e della Cooperazione Internazionale · National Natural Science Foundation of China · Chinese Academy of Sciences

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