fig3

First-principles study on the negative/zero area compressibility in Ag<sub>3</sub>BO<sub>3</sub> with “wine-rack” architecture

Figure 3. The calculated enthalpy and variation of cell parameters in Ag3Co(CN)6 and Ag3BO3vs. pressure. (A) Pressure-dependent enthalpy for the low and high-pressure phases of Ag3Co(CN)6. (B) Pressure-dependent cell parameters of Ag3Co(CN)6. (C) Pressure-dependent enthalpy in Ag3BO3-I and Ag3BO3-II. (D) The relative change of pressure-dependent cell parameters in Ag3BO3-I and Ag3BO3-II. By considering the different numbers (Z value) of chemical formulas in the two phases of AgBO3 and Ag3Co(CN)6, the enthalpies of AgBO3-I and Ag3Co(CN)6-I are multiplied by the factor of 4 and 2, respectively.

Microstructures
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