Mechanical Properties of Tetragonal and Orthorhombic Phases of Quasi-One-Dimensional Antiferromagnet KCuF_{3}

• Authors: D. Legut , U. Wdowik
• Languages of publication: EN

Abstracts

EN

The density functional theory was used to calculate the elastic constants for the two tetragonal (a-type) and (d-type), and the orthorhombic structures of KCuF_{3}. Based on the single elastic constants the polycrystalline mechanical properties such as bulk, shear, Young moduli and Poisson ratio using Reuss-Voigt-Hill averaging method were estimated. Furthermore, the sound transverse and longitudional velocities (along the a-axis and c-axis) were calculated and the Debye temperatures were determined for all three investigated phases.

Keywords

EN

62.20.fk; 73.61.Ng; 62.20.de; 62.20.dj; 75.10.Pq

Discipline

• 62.20.de: Elastic moduli
• 62.20.fk: Ductility, malleability
• 75.10.Pq: Spin chain models
• 62.20.dj: Poisson's ratio
• 73.61.Ng: Insulators

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2014
• Volume: 126
• Issue: 1
• Pages: 14-15

Dates

published

2014-07

Contributors

author

D. Legut

• Nanotechnology Centre, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava, Czech Republic

author

U. Wdowik

• Institute of Technology, Pedagogical University, Podchorążych 2, 30-084 Kraków, Poland aumD. Legut, U.D. Wdowik sptD. Legut, U.D. Wdowik

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Identifiers

DOI

10.12693/APhysPolA.126.14