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Title: Surface Instability and Chemical Reactivity of ZrSiS and ZrSiSe Nodal‐Line Semimetals

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [3]; ORCiD logo [4];  [5];  [5];  [6]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [7]; ORCiD logo [7]
  1. College of ScienceInstitute of Materials Physics and ChemistryNanjing Forestry University Nanjing 210037 P. R. China, Theoretical Physics and Applied Mathematics DepartmentUral Federal University Mira Street 19 620002 Ekaterinburg Russia
  2. Consiglio Nazionale delle Ricerche (CNR)—Istituto Officina dei Materiali (IOM) Laboratorio TASC in Area Science Park, S.S. 14 km 163.5 34149 Trieste Italy
  3. Dipartimento di FisicaUniversità della Calabria via ponte Bucci cubo 31/C 87036 Rende Cosenza Italy
  4. Institute of PhysicsAcademia Sinica Nankang Taipei 11529 Taiwan, Center for Condensed Matter SciencesNational Taiwan University Taipei 10617 Taiwan
  5. Department of PhysicsPennsylvania State University 104 Davey Lab University Park PA 16802‐6300 USA
  6. Department of PhysicsInstitute for Nanoscience and EngineeringUniversity of Arkansas Fayetteville AR 72701 USA
  7. Dipartimento di Scienze Fisiche e ChimicheUniversità dell'Aquila Via Vetoio 10 I‐67100 L'Aquila Italy
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1498589
Grant/Contract Number:  
DE‐SC0014208
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Name: Advanced Functional Materials Journal Volume: 29 Journal Issue: 18; Journal ID: ISSN 1616-301X
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Boukhvalov, Danil W., Edla, Raju, Cupolillo, Anna, Fabio, Vito, Sankar, Raman, Zhu, Yanglin, Mao, Zhiqiang, Hu, Jin, Torelli, Piero, Chiarello, Gennaro, Ottaviano, Luca, and Politano, Antonio. Surface Instability and Chemical Reactivity of ZrSiS and ZrSiSe Nodal‐Line Semimetals. Germany: N. p., 2019. Web. doi:10.1002/adfm.201900438.
Boukhvalov, Danil W., Edla, Raju, Cupolillo, Anna, Fabio, Vito, Sankar, Raman, Zhu, Yanglin, Mao, Zhiqiang, Hu, Jin, Torelli, Piero, Chiarello, Gennaro, Ottaviano, Luca, & Politano, Antonio. Surface Instability and Chemical Reactivity of ZrSiS and ZrSiSe Nodal‐Line Semimetals. Germany. doi:10.1002/adfm.201900438.
Boukhvalov, Danil W., Edla, Raju, Cupolillo, Anna, Fabio, Vito, Sankar, Raman, Zhu, Yanglin, Mao, Zhiqiang, Hu, Jin, Torelli, Piero, Chiarello, Gennaro, Ottaviano, Luca, and Politano, Antonio. Thu . "Surface Instability and Chemical Reactivity of ZrSiS and ZrSiSe Nodal‐Line Semimetals". Germany. doi:10.1002/adfm.201900438.
@article{osti_1498589,
title = {Surface Instability and Chemical Reactivity of ZrSiS and ZrSiSe Nodal‐Line Semimetals},
author = {Boukhvalov, Danil W. and Edla, Raju and Cupolillo, Anna and Fabio, Vito and Sankar, Raman and Zhu, Yanglin and Mao, Zhiqiang and Hu, Jin and Torelli, Piero and Chiarello, Gennaro and Ottaviano, Luca and Politano, Antonio},
abstractNote = {},
doi = {10.1002/adfm.201900438},
journal = {Advanced Functional Materials},
issn = {1616-301X},
number = 18,
volume = 29,
place = {Germany},
year = {2019},
month = {3}
}

Journal Article:
Free Publicly Available Full Text
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502