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Title: Frustration and Atomic Ordering in a Monolayer Semiconductor Alloy

Abstract

Frustrated interactions can lead to short-range ordering arising from incompatible interactions of fundamental physical quantities with the underlying lattice. The simplest example is the triangular lattice of spins with antiferromagnetic interactions, where the nearest-neighbor spin-spin interactions cannot simultaneously be energy minimized. In this work, we show that engineering frustrated interactions is a possible route for controlling structural and electronic phenomena in semiconductor alloys. Using aberration-corrected scanning transmission electron microscopy in conjunction with density functional theory calculations, we demonstrate atomic ordering in a two-dimensional semiconductor alloy as a result of the competition between geometrical constraints and nearest-neighbor interactions. Statistical analyses uncover the presence of short-range ordering in the lattice. In addition, we show how the induced ordering can be used as another degree of freedom to considerably modify the band gap of monolayer semiconductor alloys.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2];  [1];  [1]; ORCiD logo [1];  [2];  [2]
  1. Univ. of California, Berkeley, CA (United States)
  2. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1607414
Alternate Identifier(s):
OSTI ID: 1603741
Grant/Contract Number:  
AC02-05CH11231; DMR-1807233; DMR-1926004; AC02-05-CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 124; Journal Issue: 9; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; electronic structure; structural properties; 2-dimensional systems; alloys; semiconductors; transition-metal dichalcogenide; density functional theory; electron microscopy; infrared spectroscopy; condensed matter & materials physics

Citation Formats

Azizi, Amin, Dogan, Mehmet, Cain, Jeffrey D., Eskandari, Rahmatollah, Yu, Xuanze, Glazer, Emily C., Cohen, Marvin L., and Zettl, Alex. Frustration and Atomic Ordering in a Monolayer Semiconductor Alloy. United States: N. p., 2020. Web. https://doi.org/10.1103/physrevlett.124.096101.
Azizi, Amin, Dogan, Mehmet, Cain, Jeffrey D., Eskandari, Rahmatollah, Yu, Xuanze, Glazer, Emily C., Cohen, Marvin L., & Zettl, Alex. Frustration and Atomic Ordering in a Monolayer Semiconductor Alloy. United States. https://doi.org/10.1103/physrevlett.124.096101
Azizi, Amin, Dogan, Mehmet, Cain, Jeffrey D., Eskandari, Rahmatollah, Yu, Xuanze, Glazer, Emily C., Cohen, Marvin L., and Zettl, Alex. Thu . "Frustration and Atomic Ordering in a Monolayer Semiconductor Alloy". United States. https://doi.org/10.1103/physrevlett.124.096101. https://www.osti.gov/servlets/purl/1607414.
@article{osti_1607414,
title = {Frustration and Atomic Ordering in a Monolayer Semiconductor Alloy},
author = {Azizi, Amin and Dogan, Mehmet and Cain, Jeffrey D. and Eskandari, Rahmatollah and Yu, Xuanze and Glazer, Emily C. and Cohen, Marvin L. and Zettl, Alex},
abstractNote = {Frustrated interactions can lead to short-range ordering arising from incompatible interactions of fundamental physical quantities with the underlying lattice. The simplest example is the triangular lattice of spins with antiferromagnetic interactions, where the nearest-neighbor spin-spin interactions cannot simultaneously be energy minimized. In this work, we show that engineering frustrated interactions is a possible route for controlling structural and electronic phenomena in semiconductor alloys. Using aberration-corrected scanning transmission electron microscopy in conjunction with density functional theory calculations, we demonstrate atomic ordering in a two-dimensional semiconductor alloy as a result of the competition between geometrical constraints and nearest-neighbor interactions. Statistical analyses uncover the presence of short-range ordering in the lattice. In addition, we show how the induced ordering can be used as another degree of freedom to considerably modify the band gap of monolayer semiconductor alloys.},
doi = {10.1103/physrevlett.124.096101},
journal = {Physical Review Letters},
number = 9,
volume = 124,
place = {United States},
year = {2020},
month = {3}
}

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