A study of magnetism in disordered Pt–Mn, Pd–Mn and Ni–Mn alloys: an augmented space recursion approach

Abstract

In this paper we shall study three binary alloy systems, one constituent of which is Mn. The other constituents are chosen from a particular column of the periodic table: Ni(3d), Pt (4d) and Pd (5d). As we go down the column, the d-bands become wider, discouraging spin-polarization. In a disordered alloy, the situation becomes more complicated, as the exchange interaction between two atoms is environment dependent. We shall compare and contrast their magnetic behaviour using robust electronic structure techniques. In all three alloy systems conjectures are made to explain experimental data. In this paper we shall examine whether there is any basis to these conjectures.

Electronic and Magnetic Properties of Half Metallic Heusler Alloy Co2MnSi: A First-Principles Study

“…The main purpose of present study is to go more insight into the band structure and DOS and to find out the origin of magnetic moment. In our previous communication we have performed electronic and magnetic properties of binary and ternary alloys in their ordered (Pandey et al, 2014;Dahal et al, 2015;Lamichhane et al, 2016) as well as disordered (Pal et al, 2012;Kaphle et al, 2012;Kaphle et al, 2015) structures including perovskite (Lamichhane et al, 2014) indicating that TBLMTO approach is one of the effective model for the electronic structure problems. The other aim of present study is to use this approach for the analysis of electronic and magnetic behavior of full-Hustler alloy.…”

First-principles study of structural, electronic and magnetic properties of Co-based quaternary Heusler compounds: CoFeCrAl, CoFeTiAs, CoFeCrGa and CoMnVAs

“…We believe that present work will assist to guide the scope of finding SGS, among LiMgPdSn-type quaternary Heusler compounds having 26 (or 28) valence electrons in the future. Number of works have been carried out using TBLMTO-ASA approach in ordered binary alloys [13][14], disordered alloys [15], perovskites [16][17] and Heusler alloys [18]. The other motivation or aim is to use TBLMTO-ASA approach on quaternary alloys.…”

Electronic and Magnetic Properties of Half Metallic Heusler Alloy Co2mnsi: A First-Principles Study

“…The main purpose of present study is to go more insight into the band structure and DOS and to find out the origin of magnetic moment. In our previous communication we have performed electronic and magnetic properties of binary and ternary alloys in their ordered [8,9,10 ] as well as disordered [11,12,13] structures including perovskite [14] indicating that TBLMTO approach, one of the effective model for the electronic structure problems. The other aim of present study to use this approach for the analysis of electronic and magnetic behavior of full-Hustler alloy.…”