A spin density functional calculations in electronic structures and magnetic properties of transition metal doped GaP
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2019.04.007
Abstract: Abstract Using spin density functional calculations, the electronic and magnetic properties of GaP doped with various transition metals (Co, Cr, Fe, Mn, and V) were studied using the generalized gradient approximation with potential correction by… read more here.
Keywords: gap; transition metal; density functional; transition ... See more keywords
An insight to the spin density distribution and non-covalent interactions in a carboxylate bridged class-I mixed valence cobalt(II),cobalt(III) complex of quadruplet nature
Sign Up to like & getrecommendations! Published in 2021 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2021.120298
Abstract: Abstract A dinuclear mixed valence cobalt(II),cobalt(III) complex has been synthesized using a hexa-dentate (N2O4 donor) compartmental 'reduced Schiff base' ligand, and thiocyanate and 4-methyl-3-nitrobenzonate as anionic co-ligands. The complex has been characterized by spectroscopic measurements… read more here.
Keywords: cobalt; cobalt iii; spin; density distribution ... See more keywords
Invariant incommensurate coherence length in spin-density-wave excitation of Cr0.99Fe0.01
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2018.09.035
Abstract: Abstract Low-energy magnetic excitation of spin-density wave (SDW) was measured using a single crystal of Cr0.99Fe0.01 by cold neutron triple-axis spectroscopy. Because of the unchanged incommensurate Q and the constant line width in 2.5 ⩽… read more here.
Keywords: excitation; density wave; spin; cr0 99fe0 ... See more keywords
The evolutions of spin density and energy flux of strongly focused standard full Poincaré beams
Sign Up to like & getrecommendations! Published in 2020 at "Optics Communications"
DOI: 10.1016/j.optcom.2019.124790
Abstract: Abstract Nonzero transverse spin density, which describes phenomenon in which the electromagnetic fields of localized light spin in a plane containing its wavenumber vector, has gained enormous interest recently because of its useful applications like… read more here.
Keywords: transverse spin; spin density; standard full; density ... See more keywords
Planar-Chiral 1,1'-Diboryl Metallocenes: Diastereoselective Synthesis from Boryl Cyclopentadienides and Spin Density Analysis of a Diborylcobaltocene.
Sign Up to like & getrecommendations! Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.6b02510
Abstract: The reaction of nonsubstituted alkali metal cyclopentadienides with haloboranes leads to ∼90:10 mixtures of isomeric diene products that can be deprotonated to give simple boryl cyclopentadienides. We extended this transformation to the sterically hindered lithium… read more here.
Keywords: boryl cyclopentadienides; spin density; planar chiral; diboryl ... See more keywords
Unexpected electron spin density on the axial methionine ligand in CuA suggests its involvement in electron pathways.
Sign Up to like & getrecommendations! Published in 2020 at "Chemical communications"
DOI: 10.1039/c9cc08883k
Abstract: The CuA center is a paradigm for the study of long-range biological electron transfer. This metal center is an essential cofactor for terminal oxidases like cytochrome c oxidase, the enzymatic complex responsible for cellular respiration… read more here.
Keywords: spin density; electron; ligand; cua ... See more keywords
Crystalline anisotropy associated with a second antiferromagnetic phase in the absence of spin density wave in the heavily hydrogen-doped LaFeAsO 1 − x H x ( x ∼ 0.5 )
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Applied Physics"
DOI: 10.1063/1.5067367
Abstract: Electronic and magnetic properties of the heavily H-doped LaFeAsO 1 − x H x ( x ∼ 0.5 ) were studied in the framework of the density functional theory combined with the dynamical mean field… read more here.
Keywords: configuration; density wave; spin density; doped lafeaso ... See more keywords
Excited spin density waves in zigzag graphene nanoribbons
Sign Up to like & getrecommendations! Published in 2017 at "New Journal of Physics"
DOI: 10.1088/1367-2630/aa9fa0
Abstract: In addition to the well-known anti-ferromagnetic and ferromagnetic edge states in zigzag graphene nanoribbons (GNR), we find that there also exist some excited spin density wave (ESDW) states, the energies of which are close to… read more here.
Keywords: esdw states; graphene nanoribbons; spin density; zigzag graphene ... See more keywords
Theoretical study of electronic properties and spin density in Pt-Co alloys
Sign Up to like & getrecommendations! Published in 2019 at "Materials Research Express"
DOI: 10.1088/2053-1591/ab2c50
Abstract: The Pt-Co alloys have been widely studied for the mechanical, magnetic and electrical properties they exhibit. Some of these properties are product of the structural changes that occur due to the differents of the atomic… read more here.
Keywords: theoretical study; properties spin; density; electronic properties ... See more keywords
Quantum critical properties of a metallic spin-density-wave transition
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.035124
Abstract: We report on numerically exact determinantal quantum Monte Carlo simulations of the onset of spin-density wave (SDW) order in itinerant electron systems captured by a sign-problem-free two-dimensional lattice model. Extensive measurements of the SDW correlations… read more here.
Keywords: transition; density wave; spin density; quantum critical ... See more keywords
Opening a nodal gap by fluctuating spin-density wave in lightly doped La 2- x Sr x CuO 4
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.104512
Abstract: This chapter describes a different work we performed to investigate whether the spin or charge degrees of freedom were responsible for the nodal gap in underdoped cuprates. read more here.
Keywords: gap; gap fluctuating; nodal gap; spin density ... See more keywords