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Title: Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

Authors:
 [1]; ORCiD logo [2];  [1];  [1];  [3]; ORCiD logo [4];  [5]
  1. Department of Physics, Adnan Menderes University, Aydın 09010, Turkey
  2. Department of Chemistry, University of Puerto Rico at Cayey, P.O. Box 372230, Cayey, Puerto Rico 00737-2230, USA
  3. Department of Electrical and Electronic Engineering, Adnan Menderes University, 09100 Aydın, Turkey, Nanotechnology Application and Research Center, Adnan Menderes University, Aydın 09010, Turkey
  4. Department of Physics, Adnan Menderes University, Aydın 09010, Turkey, Nanotechnology Application and Research Center, Adnan Menderes University, Aydın 09010, Turkey
  5. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1440797
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Kadioglu, Yelda, Santana, Juan A., Özaydin, H. Duygu, Ersan, Fatih, Aktürk, O. Üzengi, Aktürk, Ethem, and Reboredo, Fernando A. Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene. United States: N. p., 2018. Web. doi:10.1063/1.5026120.
Kadioglu, Yelda, Santana, Juan A., Özaydin, H. Duygu, Ersan, Fatih, Aktürk, O. Üzengi, Aktürk, Ethem, & Reboredo, Fernando A. Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene. United States. doi:10.1063/1.5026120.
Kadioglu, Yelda, Santana, Juan A., Özaydin, H. Duygu, Ersan, Fatih, Aktürk, O. Üzengi, Aktürk, Ethem, and Reboredo, Fernando A. Thu . "Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene". United States. doi:10.1063/1.5026120.
@article{osti_1440797,
title = {Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene},
author = {Kadioglu, Yelda and Santana, Juan A. and Özaydin, H. Duygu and Ersan, Fatih and Aktürk, O. Üzengi and Aktürk, Ethem and Reboredo, Fernando A.},
abstractNote = {},
doi = {10.1063/1.5026120},
journal = {Journal of Chemical Physics},
number = 21,
volume = 148,
place = {United States},
year = {Thu Jun 07 00:00:00 EDT 2018},
month = {Thu Jun 07 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on June 6, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981


Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004


Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495