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The equations of state at room temperature as well as the energies of crystalstructures up to pressures exceeding 100 GPa are calculated for Na and K . Itis shown that the allowance for generalized gradient corrections (GGA) in thedensity functional method provides a precision description of the equation ofstate for Na, which can be used for the calibration of pressure scale. It isestablished that the close-packed structures and BCC structure are notenergetically advantageous at high enough compressions. Sharply non-monotonouspressure dependences of elastic moduli for Na and K are predicted and meltingtemperatures at high pressures are estimated from various melting criteria. Thephase diagram of K is calculated and found to be in good agreement withexperiment.Comment: 4 pages, 7 Postscript figures, Revtex, extended version, to appear in  Phys. Rev.

Structure, elastic moduli, and thermodynamics of sodium and potassium at ultrahigh pressures