28 research outputs found
COMPARATIVE EVALUATION DATA ON THE VASCULARIZATION OF THE WALLS OF THE PULMONARY TRUNK AND AORTA IN THE DOG
No abstract
Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study
With a view to the design of hard magnets without rare earths we explore the
possibility of large magnetocrystalline anisotropy energies in Heusler
compounds that are unstable with respect to a tetragonal distortion. We
consider the Heusler compounds FeYZ with Y = (Ni, Co, Pt), and CoYZ
with Y = (Ni, Fe, Pt) where, in both cases, Z = (Al, Ga, Ge, In, Sn). We find
that for the CoNiZ, CoPtZ, and FePtZ families the cubic phase is
always, at , unstable with respect to a tetragonal distortion, while, in
contrast, for the FeNiZ and FeCoZ families this is the case for only 2
compounds -- FeCoGe and FeCoSn. For all compounds in which a tetragonal
distortion occurs we calculate the MAE finding remarkably large values for the
Pt containing Heuslers, but also large values for a number of the other
compounds (e.g. CoNiGa has an MAE of -2.11~MJ/m). The tendency to a
tetragonal distortion we find to be strongly correlated with a high density of
states at the Fermi level in the cubic phase. As a corollary to this fact we
observe that upon doping compounds for which the cubic structure is stable such
that the Fermi level enters a region of high DOS, a tetragonal distortion is
induced and a correspondingly large value of the MAE is then observed.Comment: 8 pages, 5 figure
Is 2-D Graphite an Ultimate Large Hydrocarbon? II. Structure and Energy Spectra of Polycyclic Aromatic Hydrocarbons with Defects
Nature of the Magnetic Interaction in Organic Radical Crystals. 4. Magnetic Interaction in Mixed Molecular Radical Crystals
Solvent polarity and dopant effect on the electronic structure of the emeraldine salt
Quantum mechanical simulations of a variety of inorganic and organic emeraldine salts (doping agents HCl, HBr, H2SO4, MSA, BSA, and CSA) in bipolaron and polaron form with account of solvents of different polarity (chloroform, m-cresol, and water) are reported for the first time. The models are based on tetramers, and the calculations are performed with the DFT method. The polarizable continuum model is used for the treatment of solute-solvent interaction. The effect of the different dopants and polarity of the solvents on the electronic structure and properties of the salts is evaluated and interpreted from the standpoint of the available experimental data. © 2010 Wiley Periodicals, Inc
Is 2-D graphite an ultimate large hydrocarbon? 1. Energy spectra of giant polycyclic aromatic hydrocarbons
Organic Polymers with Indirect Magnetic Interaction Caused by the Symmetry of the Elementary Units
Solvent polarity and dopant effect on the electronic structure of the emeraldine salt
Quantum mechanical simulations of a variety of inorganic and organic emeraldine salts (doping agents HCl, HBr, H2SO4, MSA, BSA, and CSA) in bipolaron and polaron form with account of solvents of different polarity (chloroform, m-cresol, and water) are reported for the first time. The models are based on tetramers, and the calculations are performed with the DFT method. The polarizable continuum model is used for the treatment of solute-solvent interaction. The effect of the different dopants and polarity of the solvents on the electronic structure and properties of the salts is evaluated and interpreted from the standpoint of the available experimental data. © 2010 Wiley Periodicals, Inc