Corpus ID: 119118627

First-principles investigation of MnP magnetic states precursors of superconductivity under high pressure

  title={First-principles investigation of MnP magnetic states precursors of superconductivity under high pressure},
  author={Pietro Bonf'a and Ifeanyi John Onuorah and Roberto de Renzi},
  journal={arXiv: Superconductivity},
The discovery of a superconducting dome in the proximity of the magnetic to paramagnetic transition in the electronic phase diagram of MnP as a function of hydrostatic pressure has renewed the interest in the magnetic properties of this binary pnictide. Here we present an ab initio study obtained with Density Functional Theory (DFT) simulations as a function of pressure. We show that the itinerant-electron magnetism of MnP is well characterized by the mean-field Kohn-Sham method which correctly… Expand
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