Half-metallicity in NiMnSb: a Variational Cluster Approach with ab-initio parameters

Abstract

Electron correlation effects in the half-metallic ferromagnet NiMnSb are investigated within a combined density functional and many-body approach. Starting from a realistic multi-orbital Hubbard-model including Mn and Ni-d orbitals, the many-body problem is addressed via the Variational Cluster Approach. The density of states obtained in the calculation shows a strong spectral weight transfer towards the Fermi level in the occupied conducting majority spin channel with respect to the uncorrelated case, as well as states with vanishing quasiparticle weight in the minority spin gap. Although the two features produce competing effects, the overall outcome is a strong reduction of the spin polarisation at the Fermi level with respect to the uncorrelated case. This result emphasizes the importance of correlation in this material.

8 pages, 6 figures

References in corpus (9)

• Half-metallic ferromagnets: From band structure to many-body effects
• Variational cluster approach to correlated electron systems in low dimensions
• Variational cluster approach to spontaneous symmetry breaking: The itinerant antiferromagnet in two dimensions
• Self-energy-functional approach: Analytical results and the Mott-Hubbard transition
• Non-quasiparticle states in Co${}_2$MnSi evidenced through magnetic tunnel junction spectroscopy measurements
• Model Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2
• Titanium Nitride - a correlated metal at the threshold of a Mott transition
• Half-metallic ferromagnetism induced by dynamic electron correlations in VAs
• Effect of chemical disorder on NiMnSb investigated by Appearance Potential Spectroscopy: a theoretical study

Cited by in corpus (14)

• Ab-initio calculation of the effective on-site Coulomb interaction parameters for half-metallic magnets
• Effect of the double-counting functional on the electronic and magnetic properties of half-metallic magnets using the GGA+U method
• Half-metallic compositional ranges for selected Heusler alloys
• Effect of substitutional doping and disorder on the phase stability, magnetism, and half-metallicity of Heusler alloys
• Electronic structure and magnetic properties of metallocene multiple-decker sandwich nanowires
• Half-metallicity and magnetism in the Co${}_2$MnAl/CoMnVAl heterostructure
• Comparison of Green's functions for transition metal atoms using self-energy functional theory and coupled-cluster singles and doubles (CCSD)
• Spin-charge conversion in NiMnSb Heusler alloy films
• Absence of halfmetallicity in defect-free Cr, Mn-delta-doped Digital Magnetic Heterostructures
• Correlated electronic structure with uncorrelated disorder
• Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures
• Spectral signatures of thermal spin disorder and excess Mn in half-metallic NiMnSb
• Effects of Strong Interactions in a Half Metallic Magnet: a Determinant Quantum Monte Carlo Study
• Spectral properties of heterostructures containing half-metallic ferromagnets in the presence of local many-body correlations