First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure

The elastic constant tensors for the hcp phases of three transition metals (Co, Re, and Fe) are computed as functions of pressure using the linearized augmented plane wave method with both the local density and generalized gr adient approximations. Spin-polarized states are found to be stable for Co (ferromagnetic) and Fe (antiferromagnetic at low pressure). The elastic con stants of Co and Re are compared to experimental measurements near ambient conditions and excellent agreement is found. Recent measurements of the lat tice strain in high pressure experiments when interpreted in terms of elast ic constants for Re and Fe are inconsistent with the calculated moduli.