Structural and electronic properties of chromium carbides and Fe-substituted chromium carbides
نویسندگان
چکیده
منابع مشابه
Transition metals and their carbides and nitrides: Trends in electronic and structural properties
A study of the structural and electronic properties of selected transition metals and their carbides and nitrides is presented. We focus on assessing trends of possible importance for understanding their hardness. Lattice constants, bulk moduli (Bo), and charge densities are calculated using the local density approximation with a pseudopotential plane wave approach. An fcc lattice is employed f...
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15 صفحه اولElastic Properties of Transition Metal Nitrides and Carbides
In this paper, we study the elastic properties (i.e. Bulk modulus B) of a series of early transition metal mono-nitrides and carbides crystallize in the NaCl-type face centered cubic (FCC) structure has been investigated using plasma oscillation theory of solids. The same approach has previously been applied to rock-salt structured rare-earth mono-chalcogenides [J. Alloys and Compd. 537 (2012) ...
متن کاملStructure and properties of -carbides in duplex lightweight steels
κ-carbide in lightweight steel is studied. Its thermal stability, crystal morphology, orientation relationship, degree of lattice misfit and mechanical properties are measured experimentally. The mechanisms for the microstructural evolution of κ-carbide are considered based on the crystal structure, lattice misfit, element diffusivity, and solute partition. The hard γ/κ grain and ductile α+κ gr...
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We present a comprehensive study of the bulk and surface properties of transition metal carbides with rock salt structures and discuss their formation energies and electronic structures. The bonding character of the materials is shown to be dependent on the periodic position of the transition metal as well as the surface termination, which in turn tunes the densities of states and electronic su...
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ژورنال
عنوان ژورنال: Materials Research Express
سال: 2020
ISSN: 2053-1591
DOI: 10.1088/2053-1591/ab8cf9