Ab-initio design of half-metallic fully-compensated ferrimagnets: the case of Cr2MnZ (Z= P, As, Sb, Bi) compounds

By I. Galanakis, Bekir Aktaş, E. Şaşıoğlu, K. Özdoğan. 2007

133 citations recorded by the source corpus.

Electronic structure calculations from first-principles are employed to design some new half-metallic fully-compensated ferrimagnets (or as they are widely known half-metallic antiferromagnets) susceptible of finding applications in spintronics. Cr2MnZ (Z= P, As, Sb, Bi) compounds have 24 valence electrons per unit cell and calculations show that their total spin moment is approximately zero for a wide range of lattice constants in agreement with the Slater-Pauling behavior for ideal half-metals. Simultaneously, the spin magnetic moments of Cr and Mn atoms are antiparallel and the compounds are ferrimagnets. Mean-field approximation is employed to estimate their Curie temperature, which exceeds room temperature for the alloy with Sb. Our findings suggest that Cr2MnSb is the compound of choice for further experimental investigations. Contrary to the alloys mentioned above half-metallic antiferromagnetism is unstable in the case of the Cr2FeZ (Z= Si, Ge, Sn) alloys.

Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/51165c88ed87bc8a4ed371a593ca26d97ec3ed09

Citations in the corpus

• First principles design of spintronics materials (2016, unknown): “Following this idea, other HMAFMs can be found in half Heusler alloys CrMnZ (Z = P, As, Sb) which have 18 valence electrons, and full Heusler alloys Cr2MnZ (Z = P, As, Sb, Bi) and Mn2MnX (X = Al, Ga) which have 24 valence electrons [80-82].”