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Author: search.filters.author.Sarasamak, KanoknanSubject: search.filters.subject.High pressure

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    Item type:Publication,
    Pressure-induced phase transformations of LiGaO2: First principles study
    (2017-08-01)
    Sailuam, Wutthigrai
    ;
    Sarasamak, Kanoknan
    ;
    Polanco, Miguel Angel Mendez
    ;
    Limpijumnong, Sukit
    Phase transformations of β-LiGaO<inf>2</inf> (Pna2<inf>1</inf>) under different pressure conditions are studied using first principles calculations. Under specific conditions, LGO can exist in various structures some of which have not been previously reported (oP16 and P4<inf>1</inf>2<inf>1</inf>2). Under sufficiently strong hydrostatic pressure, LGO can transform into a rocksalt-like structure. Under strong uniaxial stress LGO can transform into a tetragonal structure or an orthorhombic structure depending on the orientation of the applied stress. The stability of different crystal structures under different applied stresses and the phase transformation processes are studied by calculating the enthalpy surfaces and transformation barriers under different stresses.
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    First-principles investigation on elastic constants of TiN under high pressure
    (2013-10-29)
    Prasert, Kittiya
    ;
    Thanomngam, Pitiporn
    ;
    Sarasamak, Kanoknan
    Elastic constants of NaCl-type TiN under pressure were investigated by first-principles calculations within both local density approximation (LDA) and Perdew-Burke-Ernzerhof generalized-gradient approximation (PBE-GGA). At ambient pressure, the calculated lattice parameter, bulk modulus, and elastic constants of NaCl-type TiN are in well agreement with other available values. Under pressure, all elastic constants, C<inf>11</inf>, C<inf>12</inf>, and C<inf>44</inf>, are found to increase with pressure. C<inf>11</inf>, which is related to the longitudinal distortion, increases rapidly with pressure while C<inf>12</inf> and C<inf>44</inf> which are related to the transverse and shear distortion, respectively, are much less sensitive to pressure. © (2013) Trans Tech Publications, Switzerland.