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.
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    Item type:Publication,
    A first principles investigation on the structural, elastic, and mechanical properties of MAX phase M3AlC2 (M= Ta, Ti, V) as a function of pressure
    (2022-03-01)
    Sailuam, Wutthigrai
    ;
    Fongkaew, Ittipon
    ;
    Limpijumnong, Sukit
    ;
    Phacheerak, Kanoknan
    This study investigated the structural, elastic, and mechanical properties of hexagonal M<inf>3</inf>AlC<inf>2</inf> (M = Ta, Ti, and V) within MAX phases by first-principles calculations. The considered properties of M<inf>3</inf>AlC<inf>2</inf> (M = Ta, Ti, and V) compounds at 0 GPa were in reasonable agreement with available experimental and other theoretical data. The elastic stability shows that no structural phase transition occurred in pressure up to 20 GPa for all compounds. The resistances to linear compression were more forceful than the resistances to compression in shape. The bulk modulus, shear modulus, and Young's modulus for M<inf>3</inf>AlC<inf>2</inf> (M = Ta, Ti, and V) compounds follow the order Ta<inf>3</inf>AlC<inf>2</inf> > V<inf>3</inf>AlC<inf>2</inf> > Ti<inf>3</inf>AlC<inf>2</inf>. The Bader charge analysis result shows the increasing of covalence bond in their structure after the pressure increased. Furthermore, Pugh's criterion B/G and Poisson's ratio v confirmed that the M<inf>3</inf>AlC<inf>2</inf> (M = Ta, Ti, and V) compounds had intrinsic brittleness. The sound velocity and Debye temperature of all compounds increased with pressure increasing. The bond stiffness and the shear anisotropy affected by pressure were reported and discussed.