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Title: Layer-Dependent Electronic Structure of Atomically Resolved Two-Dimensional Gallium Selenide Telluride

Journal Article · · Nano Letters
ORCiD logo [1];  [2];  [3];  [4];  [5];  [6]; ORCiD logo [5];  [6]
  1. Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States; Kavli Energy NanoScience Institute at the University of California, Berkeley, Berkeley, California 94720, United States
  2. Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States; Département de Chimie, Biochimie et Physique, Institut de recherche sur l’hydrogène, Université du Québec à Trois-Rivières, Trois-Rivières, Québec G8Z 4M3, Canada
  3. Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States; Graduate Group in Applied Science and Technology, University of California at Berkeley, Berkeley, California 94720, United States
  4. Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States
  5. Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
  6. Department of Physics, University of California at Berkeley, Berkeley, California 94720, United States; Kavli Energy NanoScience Institute at the University of California, Berkeley, Berkeley, California 94720, United States; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Alloying two-dimensional (2D) semiconductors provides a powerful method to tune their physical properties, especially those relevant to optoelectronic applications. However, as the crystal structure becomes more complex, it becomes increasingly difficult to accurately correlate response characteristics to detailed atomic structure. We investigate, via annular dark-field scanning transmission electron microscopy, electron energy loss spectroscopy, and second harmonic generation, the layered III–VI alloy GaSe0.5Te0.5 as a function of layer number. The local atomic structure and stacking sequence for different layers is explicitly determined. We complement the measurements with first-principles calculations of the total energy and electronic band structure of GaSe0.5Te0.5 for different crystal structures and layer number. The electronic band gap as well as the π and π + σ plasmons are found to be sensitive to layer number.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
DOE Contract Number:
AC02-05-CH11231
OSTI ID:
1530748
Journal Information:
Nano Letters, Vol. 19, Issue 3; ISSN 1530-6984
Country of Publication:
United States
Language:
English

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