arXiv subjects

Shi-Bin Chu

Publications and source records attributed to Shi-Bin Chu.

2 recordsLinked to original sources

arXiv2012

First-principles study on the magnetic properties of six potential half-metallic ferromagnets: alkaline-earth (Ca, Sr) doped XC (X=Si, Ge, Sn)

Six half-metallic ferromagnets X0.75Y0.25C (X=Si, Ge, Sn and Y =Ca and Sr) with zinc-blende structure, resulting from alkaline-earth (Ca, Sr) substitution for X, are predicted based on the density functional theory. The calculated total magnetic moments of these ferromagnets are all integer 2.00μB per supercell, which are one of important characters of half-metallic ferromagnets. Our calculations indicate that X0.75Y0.25C have wide spin gap and potentially have high Curie temperature. Alkaline-earth doping results in the spin-polarization and half-metallicity of these compounds. It is confirmed that the p-d exchange coupling is responsible for the ferromagnetism of X0.75Y0.25C except Sn0.75Ca0.25C.

cond-mat.mtrl-sci↗

arXiv2011

Half-metallic properties for the Ti2YZ (Y=Fe,Co,Ni,Z=Al,Ga,In) Hesuler alloys: A first-principles study

Using the full-potential local orbital minimum-basis method,the Ti2-based full-Heusler alloys are studied. The results show that these compounds exhibit a half-metallic behavior, however, in contrast to the conventional full-Heusler alloys,the full-Heusler alloys show a Slater-Pauling behavior and the total spin magnetic moment per unit cell(Mt) following the rule Mt=Zt-18. The origin of the gap in these half-metallic alloys are well understood. It is found that the half-metallic properties of Ti2-based compounds are insensitive to the lattice distortion and a fully spin polarization can be obtained within a wide range of lattice parameters. This is favorable in practical application.

cond-mat.mtrl-sci↗