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First-principles Study On Hard/soft SmCo5/Co(Fe) Nanocomposite Magnetic Materials
(Physics, 2008-09-17)
More than a decade ago, exchange-spring permanent magnets containing soft and hard magnetic phases have been proposed to enlarge maximum energy product values through exchange coupling between the magnetically soft and ...
A First-principles Study On Bulk CuO: Electronic Structures And Native Point Defects
(Physics, 2007-08-23)
In this thesis, we have performed a first-principles study on strongly correlated monoclinic cupric oxide (CuO) by using the LSDA+U method implemented in the PAW method. Based on the optimized structural parameters, which ...
First-principles prediction of enhanced magnetic anisotropy in FeCo alloys
(American Institute of Physics, 2008-02-04)
The structural, electronic, and magnetic properties of FeCo alloys were studied by first-principles calculations. It has been found that the alloys prefer chemically noncubic geometries in a wide composition range. This ...
pH-dependence of conduction type in cuprous oxide synthesized from solution
(AIP;, 2010-06-28)
The formation of native point defects in cuprous oxide, Cu2O, synthesized from solution has been studied by first-principles calculations. Although p-type conduction is obtained in Cu2O synthesized from vacuum regardless ...