Industry meets theory: computational R & D for innovative products.

We introduce our activities for applications of first-principles theoretical calculations to various research and development processes for innovative electronic products. We present our recent selected results for four kinds of materials, which are the rare-earth element doped ceramic dielectric material BaTiO(3), BaTiO(3) ceramic nanoclusters and alkali-metal Li storage materials, i.e., graphite and sulfide Li(x)FeS(2).

Temperature dependence of piezoelectric properties for textured SBN ceramics.

Temperature dependences of piezoelectric properties were studied for h001i textured ceramics of bismuth layer-structured ferroelectrics, SrBi(2)Nb(2)O(9) (SBN). The textured ceramics with varied orientation degrees were fabricated by templated, grain-growth method, and the temperature dependences of resonance frequency were estimated. Excellent temperature stability of resonance frequency was obtained for the 76% textured ceramics. The resonance frequency of the 76% textured specimens varied almost linearly over a wide temperature range. Therefore, the variation was slight, even in a high temperature region above 150 degrees C. Temperature stability of a quartz crystal oscillator is generally higher than that of a ceramic resonator around room temperature. The variation of resonance frequency for the 76% textured SrBi(2)Nb(2)O(9) was larger than that of oscillation frequency for a typical quartz oscillator below 150 degrees C also in this study. However, the variation of the textured SrBi(2)Nb(2)O(9) was smaller than that of the quartz oscillator over a wide temperature range from -50 to 250 degrees C. Therefore, textured SrBi(2)Nb(2)O(9) ceramics is a major candidate material for the resonators used within a wide temperature range.

High-power piezoelectric characteristics of textured bismuth layer structured ferroelectric ceramics.

Abstract-The high-power piezoelectric characteristics in h001i oriented ceramics of bismuth layer structured ferroelectrics (BLSF), SrBi(2)Nb(2)O(9) (SBN), (Bi,La)(4)Ti(3)O(12) (BLT), and CaBi(4)Ti(4)O(15) (CBT), were studied by a constant voltage driving method. These textured ceramics were fabricated by a templated grain growth (TGG) method, and their Lotgering factors were 95%, 97%, and 99%, respectively. The vibration velocities of the longitudinal mode (33-mode) increased proportionally to an applied electric field up to 2.5 m/s in these textured BLSF ceramics, although, the vibration velocity of the 33-mode was saturated at more than 1.0 m/s in the Pb(Mn,Nb)O(3)-PZT ceramics. The resonant frequencies were constant up to the vibration velocity of 2.5 m/s in the SBN and CBT textured ceramics; however, the resonant frequency decreased with increasing over the vibration velocity of 1.5 m/s in the BLT textured ceramics. The dissipation power density of the BLT was almost the same as that of the Pb(Mn,Nb)O(3)-PZT ceramics. However, the dissipation power densities of the SBN and CBT were lower than those of the BLT and Pb(Mn,Nb)O(3)-PZT ceramics. The textured SBN and CBT ceramics are good candidates for high-power piezoelectric applications.