Electronic study of FeTi, CoTi, and NiTi alloys: Bulk, surfaces, and interfaces

A. Kellou, Z. Nabi, A. Tadjer, N. Amrane, N. Fenineche, H. Aourag

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)


The full-potential linearized augmented plane waves (FP-LAPW) method within the generalized gradient approximation (GGA) is applied to determine the electronic properties of the equiatomic alloys B2-MTi (M = Fe, Co, Ni). Detailed analysis is devoted to the NiTi austenic, premartensic, and martensic phases. The martensic transformation (MT) occurs from the austenic B2 (CsCl structure) to the monoclinic B19' phase upon cooling. Spin-polarized slab calculations are carried out to study the FeTi(001), CoTi(001), and NiTi(001) surfaces and the FeTi/CoTi, FeTi/NiTi, and CoTi/NiTi interfaces. The stability mechanism of the interface is related to the calculated ideal work of adhesion. The corresponding electronic structure and local magnetic moments of the surface, sub-surface, and central layers are also given.

Original languageEnglish
Pages (from-to)389-398
Number of pages10
JournalPhysica Status Solidi (B) Basic Research
Issue number2
Publication statusPublished - Oct 2003

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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