Phacheerak, Kanoknan

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Phacheerak, Kanoknan
Alternative Name
Phacheerak, Kanoknan Sarasamak
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Email
kanoknan.ph@kmitl.ac.th

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    Item type:Publication,
    First-principles investigations of structural and elastic properties of LiGaO2 under pressure
    (2019-09-01)
    Sailuam, Wutthigrai
    ;
    Busayaporn, Wutthikrai
    ;
    Limpijumnong, Sukit
    ;
    Phacheerak, Kanoknan
    The structural and elastic properties of the LiGaO<inf>2</inf> with an orthorhombic-type structure (Pna2<inf>1</inf>-LGO) under pressure were investigated using first-principles calculations. The calculated structural parameters and elastic constants show a good agreement with the experimental and other theoretical values. The structural parameters and elastic constants of Pna2<inf>1</inf>-LGO under various pressures are calculated. All structural parameters are found to be decreased with pressure. The elastic constants are found to increase with pressure, except for C<inf>44</inf> and C<inf>55</inf>. It was also found that the elastic constants C<inf>11</inf>, C<inf>22</inf>, and C<inf>33</inf> which represent the elasticity in length are always larger than the elastic constants C<inf>12</inf>, C<inf>13</inf>, C<inf>23</inf>, C<inf>44</inf>, C<inf>55</inf>, and C<inf>66</inf> which represent the elasticity in shape at the same pressure. The details of pressure dependences of the structural and elastic constants are also presented and discussed.