Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional

doi:10.1103/PhysRevB.97.094111

This content will become publicly available on March 26, 2019

Title: Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional

Authors:: Shahi, Chandra ; Sun, Jianwei ; Perdew, John P.

Publication Date:: 2018-03-26

Grant/Contract Number:: SC0012575

Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 9; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Sponsoring Org:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Country of Publication:: United States

Language:: English

OSTI Identifier:: 1429560


                    Shahi, Chandra, Sun, Jianwei, and Perdew, John P. Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional.  United States: N. p.,  
        Web.  doi:10.1103/PhysRevB.97.094111.

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                    Shahi, Chandra, Sun, Jianwei, & Perdew, John P. Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional.  United States.  doi:10.1103/PhysRevB.97.094111.

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                    Shahi, Chandra, Sun, Jianwei, and Perdew, John P. 2018.  
        "Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional".  United States.  
        doi:10.1103/PhysRevB.97.094111.

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@article{osti_1429560,

  title        = {Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional},

  author       = {Shahi, Chandra and Sun, Jianwei and Perdew, John P.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.97.094111},

  journal      = {Physical Review B},

  number       = 9,

  volume       = 97,

  place        = {United States},

  year         = {2018},

  month        = {3}

}

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Free Publicly Accessible Full Text
This content will become publicly available on March 26, 2019
Publisher's Version of Record
10.1103/PhysRevB.97.094111
https://doi.org/10.1103/PhysRevB.97.094111

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
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Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
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Kresse, G.; Joubert, D.
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Self-Consistent Equations Including Exchange and Correlation Effects
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Title: Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional

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