Thanomngam, Pitiporn

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Thanomngam, Pitiporn
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Thanomngam, P.
Thanomngam, Pittiporn
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pitiporn.th@kmitl.ac.th

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    Item type:Publication,
    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.