Distorted hcp structure of zinc under pressure

Meenakshi, S. ; Vijayakumar, V. ; Godwal, B. K. ; Sikka, S. K. (1992) Distorted hcp structure of zinc under pressure Physical Review B, 46 (22). pp. 14359-14361. ISSN 0163-1829

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Official URL: http://prb.aps.org/abstract/PRB/v46/i22/p14359_1

Related URL: http://dx.doi.org/10.1103/PhysRevB.46.14359


Results of c/a variation under pressure for zinc from total-energy calculations that use first-principles linearized-muffin-tin-orbital calculations are presented. c/a decreases with compression and is found to change slope around V/V0≅ 0.92, to approach the ideal value of c/a=1.63. This behavior is compared with existing experimental data and with full-potential linearized-augmented-plane-wave calculations.

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