Structural Properties of Some Alkali Metal Hydrides at High Temperature and Pressure

• Authors: V. Thakre , S. Singh
• Languages of publication: EN

Abstracts

EN

In this paper we have developed a realistic interaction potential model to study the high pressure phase transition of ionic alkali-metal compounds KH and NaH, having B₁ structure at room temperature. We have theoretically investigated phase transition pressures and volume collapses of KH and NaH at high temperatures, and found results well suited with available experimental data. The elastic constants and their pressure derivatives are reported first time. The thermodynamical properties of B₁ phase of KH and NaH are also predicted. The inclusion of temperature effect in TBIP makes the present model realistic and suitable for theoretical high-pressure studies.

Keywords

EN

hydrides; phase transition; three-body interaction; volume collapse; elastic constants; cohesive energy

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2018
• Volume: 133
• Issue: 1
• Pages: 186-193

Dates

published

2018-01

received

2014-01-21

(unknown)

2017-04-10

Contributors

author

V. Thakre

• Department of Physics, Barkatullah University, Bhopal-462026, India

author

S. Singh

• Department of Physics, Barkatullah University, Bhopal-462026, India

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Identifiers

DOI

10.12693/APhysPolA.131.186