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High pressure effects on electronic and magnetic properties of LaOFeAs superconductor

Khosroabadi, H ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1007/s10948-014-2528-x
  3. Abstract:
  4. The effect of pressure has been studied on structural and electronic properties of LaOFeAs high-T c superconductor by ab initio density functional theory by using pseudopotential Quantum Espresso code. The lattice parameters and ionic positions in the ambient pressure and some high pressure up to 20 GPa have been calculated. The obtained data versus the simple scaling relation for the ionic positions and distances for mechanical pressures have been discussed. The results of band structure and magnetic moment calculations of this compound versus the applied pressure are presented in this paper. The results are compared with the other experimental and computational data in the literature
  5. Keywords:
  6. LaOFeAs superconductor ; C (programming language) ; Calculations ; Density functional theory ; Electronic properties ; Electronic structure ; High pressure effects ; Magnetic moments ; Pressure effects ; Superconducting materials ; Ab initio density functional theories (DFT) ; Computational data ; Effect of pressure ; Electronic and magnetic properties ; Mechanical pressure ; Moment calculation ; Scaling relations ; Structural and electronic properties ; Superconductivity
  7. Source: Journal of Superconductivity and Novel Magnetism ; Vol. 27, issue. 7 , 2014 , p. 1689-1692
  8. URL: http://link.springer.com/article/10.1007%2Fs10948-014-2528-x