Hydrogenation of 3d‐metal oxide clusters: Effects on the structure and magnetic properties
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25739
Abstract: The geometrical structures and properties of the M8O12, M8O12H8, and M8O12H12 clusters are explored using density functional theory with the generalized gradient approximation for all 3d‐metals M from Sc to Zn. It is found that… read more here.
Keywords: hydrogenation; magnetic moments; spin magnetic; metal ... See more keywords
Low-energy probes of sterile neutrino transition magnetic moments
Sign Up to like & getrecommendations! Published in 2021 at "Journal of High Energy Physics"
DOI: 10.1007/jhep12(2021)191
Abstract: Abstract Sterile neutrinos with keV-MeV masses and non-zero transition magnetic moments can be probed through low-energy nuclear or electron recoil measurements. Here we determine the sensitivities of current and future searches, showing how they can… read more here.
Keywords: magnetic moments; low energy; transition magnetic; energy ... See more keywords
Nuclear magnetic moments in covariant density functional theory
Sign Up to like & getrecommendations! Published in 2018 at "Frontiers of Physics"
DOI: 10.1007/s11467-018-0842-7
Abstract: Nuclear magnetic moment is an important physical variable and serves as a useful tool for the stringent test of nuclear models. For the past decades, the covariant density functional theory and its extension have been… read more here.
Keywords: density functional; nuclear magnetic; covariant density; magnetic moments ... See more keywords
Binary magnetic moments of all-boron fullerene B40 by positioning the Co atom
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2019.110587
Abstract: Abstract Recently, the all-boron fullerene B40 is experimentally observed and theoretically confirmed. As the second single-element fullerene after C60, further study about this novel fascinating fullerene is thus quite desirable. In this work, the structures,… read more here.
Keywords: magnetic moments; fullerene b40; binary magnetic; b40 ... See more keywords
Magnetic moments of small cobalt clusters revisited: The contribution of 3d and 4s electrons
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Mass Spectrometry"
DOI: 10.1016/j.ijms.2019.01.004
Abstract: Abstract The magnetic moment of small cobalt clusters shows large variations with the cluster size, both theoretically and experimentally. In this work we present results from density functional calculations using both the hybrid B3-LYP as… read more here.
Keywords: cobalt; magnetic moments; moments small; spin magnetic ... See more keywords
Sphere-like Eu12 and (EuX)12 (X=N,O, and S) clusters with ultrahigh magnetic moments
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.153495
Abstract: Abstract Geometries and electronic properties of Eu12 and (EuX)12 (X = N, O, and S) cages with D2h symmetry are investigated by first-principles density functional theory with Perdew-Burke-Ernzerhof exchange-correlation. The calculated total magnetic moments of stable (EuX)12… read more here.
Keywords: eux clusters; magnetic moments; eu12 eux; like eu12 ... See more keywords
The X-ray magnetic dichroism, the sum rule and spin fluctuations on the surface of manganite (LaPrCa)MnO 3
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2016.12.060
Abstract: Abstract The problem of determining the magnitude of the atomic magnetic moments in compounds with rare-earth and transition elements using the X-ray magnetic circular dichroism (XMCD) is investigated. The standard sum rules approach usually gives… read more here.
Keywords: sum; dichroism; magnetic moments; ray magnetic ... See more keywords
Orbital Magnetic Moments of the High-Spin Co2+ Ions at Axially-Elongated Octahedral Sites: Unquenched as Reported from Experiment or Quenched as Predicted by Theory?
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c02929
Abstract: Neutron diffraction studies on magnetic solids composed of axially elongated CoO4X2 (X = Cl, Br, S, Se) octahedra show that the ordered magnetic moments of their high-spin Co2+ (d7, S = 3/2) ions are greater… read more here.
Keywords: moments high; theory; co2 ions; axially elongated ... See more keywords
Band structure regulation in Fe-doped MgZnO by initial magnetic moments
Sign Up to like & getrecommendations! Published in 2021 at "RSC Advances"
DOI: 10.1039/d0ra09306h
Abstract: ZnO-based diluted magnetic semiconductors have high prospects in spintronics applications. In this study, the electronic and magnetic properties of Fe-doped MgZnO are studied by density functional theory calculations. The investigations of the band structure, total… read more here.
Keywords: magnetic moments; density; band structure; initial magnetic ... See more keywords
Quantum dynamics in strongly driven random dipolar magnets
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.101.214201
Abstract: The random dipolar magnet LiHo_xY_(1−x)F₄ enters a strongly frustrated regime for small Ho³⁺ concentrations with x < 0.05. In this regime, the magnetic moments of the Ho³⁺ ions experience small quantum corrections to the common… read more here.
Keywords: strongly driven; magnetic moments; driven random; random dipolar ... See more keywords
Strong anomalous Nernst effect in collinear magnetic Weyl semimetals without net magnetic moments
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.97.220405
Abstract: We predict a large anomalous Nernst effect in the inverse Heusler compensated ferrimagnets ${\mathrm{Ti}}_{2}\mathrm{Mn}X$ ($X=\mathrm{Al}$, Ga, and In) with vanishing net magnetic moments. Though the net magnetic moment is zero, the Weyl points in these… read more here.
Keywords: nernst effect; net magnetic; magnetic moments; anomalous nernst ... See more keywords