Gd impurities effect on $$\hbox {Co}_{2}\hbox {CrSi}$$ Co 2 CrSi alloy: first-principle calculations
نویسندگان
چکیده
منابع مشابه
Molecular - beam epitaxy of CrSi 2 on Si ( 111 )
Chromium disilicide layers have been grown on Si ( 111) in a commercial molecular-beam epitaxy machine. Thin layers ( l 0 nm) exhibit two epitaxial relationships, which have been identified as CrSi2 (0001)//Si(lll) with CrSi2 [10lO]//Si[10l], and CrSi2 (0001)//Si(lll) with CrSi2 [ 1120 ]I /Si [ 101]. The latter case represents a 30° rotation of the CrSi2 layer about the Si surface normal relati...
متن کاملOvertone Bands of H3f: First Principle Calculations
Since its spectrum was first observed by Oka (I) and Shy et al. (2) in 1980, H: and its isotopomers have excited considerable interest among experimental spectroscopists and theoretical chemists alike. All the infrared-allowed fundamentals of the ions have been characterized (3-8). The microwave spectrum of H2D+ has tentatively been observed in the interstellar gas cloud NGC 2264. At the same t...
متن کاملEffect of Pt impurities on the magnetocrystalline anisotropy of hcp Co: a first-principles study
In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the variation in the magnetocrystalline anisotropy energy (MAE) of hexagonal close-packed cobalt with the addition of platinum impurities. In particular, we perform calculations on a bulk cobalt system in which one of the atomic layers contains a fractional, substitutional platinum impurity. Our calculation...
متن کاملEffect of Random Impurities on Fluctuation-Driven First Order Transitions
We analyse the effect of quenched uncorrelated randomness coupling to the local energy density of a model consisting of N coupled two-dimensional Ising models. For N > 2 the pure model exhibits a fluctuation-driven first order transition, characterised by runaway renormalisation group behaviour. We show that the addition of weak randomness acts to stabilise these flows, in such a way that the t...
متن کاملFirst-principle calculations of ductile CeAg intermetallic compound
The first-principle calculations were performed to investigate the structural, mechanical, electronic and thermal properties of the binary ductile intermetallic compound CeAg with B2 (CsCl) structure. The calculated value of lattice constant a0 for CeAg with generalized gradient approximation is 3.713 Å, which is in better agreement with experimental data than local spin density approximation. ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Bulletin of Materials Science
سال: 2018
ISSN: 0250-4707,0973-7669
DOI: 10.1007/s12034-017-1516-8