Fig. 4: Calculated thermodynamic properties of CaO as a function of temperature and pressure using quasiharmonic (QHA) and quasiparticle (QP) theories.
From: Thermodynamics of solids including anharmonicity through quasiparticle theory
The plots show the volume (a), adiabatic bulk modulus (b), constant-pressure heat capacity (c), and volumetric thermal expansion coefficient (d) as a function of temperature at zero pressure, as well as volume as a function of pressure (e). QP (full lines) and QHA (dashed) are compared against experimental data113,122 (circles). In plot (e), two isotherms are shown: 300 K (green, the QHA and QP isotherms overlap) and 2400 K (red).
