  Phase stability of various phases of MX (M = Ti, Zr; X = C, N) at equilibrium
and under pressure is examined based on first-principles calculations of the
electronic and phonon structures. The results reveal that all B1 (NaCl-type) MX
structures undergo a phase transition to the B2-structures under high pressure
in agreement with the previous total-energy calculations. The B1-MX structures
are dynamically stable under very high pressure (210-570 GPa). The
pressure-induced B2 (CsCl-type) MC phases are dynamically unstable even at high
pressures, and TiN and ZrN are found to crystallize with the B2-structure only
at pressures above 55 GPa. The first-order B1-to-B2 phase transition in these
nitrides is not related to the softening of phonon modes, and the dynamical
instability of B2-MX is associated with a high density of states at the Fermi
level.
