Machine learning lattice constants from ionic radii and electronegativities for cubic perovskite $$A_{2}XY_{6}$$ compounds
Sign Up to like & getrecommendations! Published in 2020 at "Physics and Chemistry of Minerals"
DOI: 10.1007/s00269-020-01108-4
Abstract: Metal halide perovskites have attracted great attention in the past decade due to unique and tunable optical and electrical properties, which are promising candidates for various applications such as solar cells, light-emitting diodes, and laser… read more here.
Keywords: perovskite compounds; radii electronegativities; lattice constants; ionic radii ... See more keywords
Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys
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DOI: 10.1007/s10948-017-4460-3
Abstract: Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange correlation… read more here.
Keywords: half metallic; cofecrz heusler; heusler alloys; structure ... See more keywords
Machine learning lattice constants for spinel compounds
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DOI: 10.1016/j.cplett.2020.137993
Abstract: Abstract Spinels can house a large variety of elements into the crystal structure. As a crystallographic parameter, the lattice constant, a, is highly sought in further investigations into materials properties. Experimental approaches to obtain the… read more here.
Keywords: constants spinel; lattice constants; learning lattice; machine learning ... See more keywords
Properties of orthorhombic Ga2O3 alloyed with In2O3 and Al2O3
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DOI: 10.1063/5.0060801
Abstract: Ga2O3 is a promising wide-bandgap material for electronic applications. The metastable orthorhombic κ phase is of particular interest due to its large predicted spontaneous electrical polarization. Here, we investigate how the properties of the orthorhombic… read more here.
Keywords: in2o3; orthorhombic ga2o3; properties orthorhombic; ga2o3 alloyed ... See more keywords
Transmission characteristics of linear defect multiple lattice constants super-thermocrystal waveguide
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DOI: 10.35848/1882-0786/ab92f7
Abstract: Thermocrystals is a new type of artificial periodic structure that controls the transfer of heat. In this paper, a multiple lattice constants supercrystal structure is proposed, and a known narrow thermal spectral material is used… read more here.
Keywords: thermocrystal waveguide; linear defect; waveguide; multiple lattice ... See more keywords