4.6 Article

Quantum electronic pressure and crystal compressibility for magnesium diboride under simulated compression

Journal

MATERIALS TODAY COMMUNICATIONS
Volume 26, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.mtcomm.2020.101952

Keywords

Quantum electronic pressure; Elastic moduli; Spatial dependences; Crystal compressibility

Funding

  1. Government of Russian Federation [02.A03.21.0011]
  2. Ministry of Science and Higher Education of the Russian Federation [FENU-2020-0019]

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The research reveals the relationship between the changes in quantum electronic pressure (QEP) in magnesium diboride crystal and the directional compressibility of the crystal under increasing hydrostatic compression. The preferred arrangement of regions with maximum positive QEP values and minimal changes determines the crystal's resistance to external stresses, shedding light on previously unknown properties of materials. Analysis of quantum electronic pressure demonstrates a direct link between microscopic and macroscopic fundamental quantities.
The analysis of quantum electronic pressure (QEP) in magnesium diboride crystal under increasing simulated hydrostatic compression is carried out. The link between the QEP changes and directional compressibility of MgB2 crystal has been revealed. The preferred arrangement of the regions with the QEP maximum positive values and its minimum changes under increasing hydrostatic compression determine the maximal crystal resistance to external stresses along the layers of boron atoms. The difference in the directions of minimal resistance to uniaxial and hydrostatic compression is explained by the features of the regions with different changes of negative QEP values arranged along the Mg-B bonds and B center dot center dot center dot B interlayer contacts. In this way analysis of quantum electronic pressure reveals the direct link of microscopic and macroscopic fundamental quantities and throws light on aspects of the hitherto unknown nature of the properties of materials.

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