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Title: Discovery of twin orbital-order phases in ferromagnetic semiconducting VI3 monolayer

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/c9cp05643b · OSTI ID:1800866
ORCiD logo [1];  [2];  [3]; ORCiD logo [4]; ORCiD logo [5]
  1. Virginia Commonwealth Univ., Richmond, VA (United States). Physics Dept.; Nanjing Univ. of Science and Technology (China). Dept. of Applied Physics. Inst. of Energy and Microstructure; OSTI
  2. Nanjing Forestry Univ. (China). College of Information Science and Technology
  3. Nanjing Univ. (China). National Lab. of Solid State Microstructures. School of Physics
  4. Virginia Commonwealth Univ., Richmond, VA (United States). Physics Dept.
  5. Nanjing Univ. of Science and Technology (China). Dept. of Applied Physics. Inst. of Energy and Microstructure

Spontaneous orbital symmetry breaking in crystals gives rise to abundant novel and interesting physical properties, which sometimes are concealed by the absence of geometrical distortions. We show that a recently discovered 3d2 system, namely the layered VI3 ferromagnetic semiconductor, is a strongly correlated and orbital ordering system. Our analysis reveals that in a VI3-like system, there could be two types of orbital splitting, which are stabilized respectively by strong electronic correlation and inter-atomic exchange interactions. Consequently, on the basis of first-principles calculations, two competing low-energy phases of VI3 monolayer (denoted as twin orbital-order phases) are discovered, in which the metal–insulator transition is driven by strong electronic correlation, and the orbital symmetry breaking is robust against geometrical distortions. In addition, similar phenomena are also observed in other VI3-like systems. These findings shed light on the unusual electronic behavior of a strongly correlated 2D system and will be interesting for nanoscale multi-functional spintronic applications.

Research Organization:
Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG02-96ER45579
OSTI ID:
1800866
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 2 Vol. 22; ISSN 1463-9076
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

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