Fig. 3: Stability and phase diagram of (Al, Sc, B)N.
From: Giant energy density nitride dielectrics enabled by a paraelectric-metaparaelectric phase transition
a The formation enthalpy ∆H of (Al, Sc, B)N system as a function of Sc concentration with B concentration of 22%. b Ternary phase diagram of (Al, Sc, B)N system. c Schematic of the total energy as a function of polarization for PE HE′ and ferroelectric FE WZ′ phases as the Sc concentration increases. d The atomic structures for WZ′, HE′, and RS′ phase, which similar to WZ, HE, and RS phase, respectively, with lattice distortions around B ions. The silver, magenta and green spheres represent Al, Sc and B atoms, respectively. The gray spheres represent N atoms. The point A presents the concentration of Al, Sc and B are 25%, 50% and 25%, respectively.
