Pressure effect on magnetic moments in ordered Ni.sub.3./sub.Mn anddisordered Ni.sub.100-x./sub.Mn.sub.x./sub. alloys: ab initio calculation and experiment

0361327 - FZÚ 2012 RIV GB eng J - Článek v odborném periodiku
Kamarád, Jiří - Kudrnovský, Josef - Arnold, Zdeněk - Drchal, Václav - Turek, I.
Pressure effect on magnetic moments in ordered Ni₃Mn anddisordered Ni_100-xMn_x alloys: ab initio calculation and experiment.
High Pressure Research. Roč. 31, č. 1 (2011), s. 116-120. ISSN 0895-7959. E-ISSN 1477-2299
Grant CEP: GA ČR GA202/09/1027
Výzkumný záměr: CEZ:AV0Z10100521; CEZ:AV0Z10100520
Klíčová slova: TB-LMTO-CPA * disordered-local moment * Ni₃Mn * pressure
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 0.778, rok: 2011

We have revealed a substantial difference in the pressure behavior of magnetization of the ordered Ni3Mn and the disordered Ni75Mn25 and Ni80Mn20 alloys in the pressure range up to 1.2 GPa. To explain in detail the peculiarities of magnetic properties of the Ni-rich NiMn alloys, the reference electronic structure of the alloys was calculated using the tight-binding linear muffin-tin orbital approach. The effect of disorder was described by the coherent potential approximation. The theoretical ab initio calculations (with changes of the lattice parameters up to 1%) elucidated the pressure stability of the magnetic Mn moments and revealed that the very pronounced decrease in the magnetization of the disordered alloys under pressure is caused by the relatively small change in portion of the Mn moments with parallel and anti-parallel orientation with respect to the total moment.
Trvalý link: http://hdl.handle.net/11104/0198665