| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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First-Principles Study of Tetragonal BaTiO3 Subjected to Uniaxial Tensile Stress along the c Axis |
| WANG Chun-Mei1, DUAN Yi-Feng2, CHEN Chang-Qing1 |
| 1MOE Key Laboratory, School of Aerospace, Xi'an Jiaotong University, Xi'an 7100492Department of Physics, School of Sciences, China University of Mining and Technology, Xuzhou 221008 |
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WANG Chun-Mei, DUAN Yi-Feng, CHEN Chang-Qing 2009 Chin. Phys. Lett. 26 017203 |
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Abstract Tetragonal BaTiO3 under uniaxial tensile stress along the c axis is investigated from first principles. The structural parameters and polarization show a little abrupt change near a critical stress σc of 4.57GPa, which is related to the uniaxial tensile stress induced change of elastic constants. We also find that the ferroelectric lattice distortion increases with the increasing stress. Moreover, it is found that uniaxial tensile stress can enhance the piezoelectric strain coefficients, which reach their maximum values at the stress σc.
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| Keywords:
72.80.Ey
62.20.Dc
77.22.Ej
77.65.Bn
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Received: 17 September 2008
Published: 24 December 2008
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