[10a-PA4-1~10] 9.1 Dielectrics, ferroelectrics

[10a-PA4-7] Study on Piezoelectricity of Zr-Doped AlN by First-Principles Calculation

〇Kazuya Eto^1,2, Kenji Hirata², Sri Ayu Anggraini², Morito Akiyama², Masato Uehara^1,2, Hiroshi Yamada^1,2 (1.Kyushu Univ., 2.AIST)

Keywords:piezoelectric material, nitride, first-principles calculation

AlN with wurtzite structure is a piezoelectric material having a high Q factor and good temperature stability. Therefore, it is used for FBAR filters in mobile communication terminals. The improvement of piezoelectric response has been reported in Sc-doped AlN. On the otherhand, replacing additional element for AlN from Sc to other elements has been investigated by experiments and theoretical calculations. In this study, the piezoelectric constant of Zr-doped AlN was evaluated by first-principles calculations. The calculated piezoelectric constant showed the improvement by the addition of Zr for AlN in analogy with the case of Sc-doped AlN.