Distorted hcp structure of zinc under pressure

S. Meenakshi; V. Vijayakumar; B. K. Godwal; S. K. Sikka

doi:10.1103/PhysRevB.46.14359

Distorted hcp structure of zinc under pressure

S. Meenakshi, V. Vijayakumar, B. K. Godwal, S. K. Sikka

Research output: Contribution to journal › Article › peer-review

36 Scopus citations

Abstract

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/V00.92, 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.

Original language	English
Pages (from-to)	14359-14361
Number of pages	3
Journal	Physical Review B
Volume	46
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevB.46.14359
State	Published - 1 Jan 1992
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics

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10.1103/PhysRevB.46.14359

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abstract = "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/V00.92, 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.",

author = "S. Meenakshi and V. Vijayakumar and Godwal, {B. K.} and Sikka, {S. K.}",

year = "1992",

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AU - Vijayakumar, V.

AU - Godwal, B. K.

AU - Sikka, S. K.

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N2 - 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/V00.92, 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.

AB - 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/V00.92, 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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Distorted hcp structure of zinc under pressure

Abstract

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