| 摘要 |
One embodiment provides a method, comprising: calculating, using at least one computer, a distance to a hull for an alloy XxY1-x in the range 0.01≦x≦0.99, where X and Y are perovskite materials; determining, using the at least one computer, a preferred phase for the alloy in the range 0.01≦x≦0.99; and selecting an alloy composition having the distance to the hull being less than 0.1 eV/atom and for which the preferred phase in at least a portion of the range 0.01≦x≦0.99 is a tetragonal phase. Piezoelectric materials as selected by the method are also provided. |
| 主权项 |
1. A piezoelectric material comprising at least one of (Ba1—Sn1)Ti2O6, (Ba3—Sn1)Ti4O12, (Ba3—Sn5)Ti8O24, Ba4(Hf3—Ti1)O12, (Ba5—Sn3)Ti8O24, (Ba7—Sn1)Ti8O24, Ba8(Hf7—Ti1)O24, Ba8(Sn7—Ti1)O24, Bi4(Al1—Ga3)O12, Bi4(Ga3—Sc1)O12, Bi8(Al1—Ga7)O24, Bi8(Al3—Ga5)O24, Bi8(Ga5—Sc3)O24, Bi8(Ga7—Sc1)O24, (Ca1—Sn3)Ti4O12, (Cs1—Na7)Nb8O24, (Cu1—K7)Nb8O24, (Cu1—K7)Ta8O24, (Ga1—K3)Ta4O12, (K1—Rb1)Ta2O6, (K1—Rb3)Ta4O12, (K1—Tl1)Ta2O6, (K3—Rb5)Ta8O24, (K3—Tl1)Ta4O12, (K5—Rb3)Ta8O24, (K5—Tl3)Ta8O24, (Li1—Rb7)Nb8O24, (Na5—Rb3)Nb8O24, (Sn1—Sr1)Ti2O6, (Sn1—Sr3)Ti4O12, (Sn1—Sr7)Ti8O24, (Sn3—Sr1)Ti4O12, (Sn3—Sr5)Ti8O24, (Sn5—Sr3)Ti8O24, (Sn7—Sr1)Ti8O24, and Sr8(Si1—Ti7)O24. |
