TY - JOUR
T1 - Electronic study of FeTi, CoTi, and NiTi alloys
T2 - Bulk, surfaces, and interfaces
AU - Kellou, A.
AU - Nabi, Z.
AU - Tadjer, A.
AU - Amrane, N.
AU - Fenineche, N.
AU - Aourag, H.
PY - 2003/10
Y1 - 2003/10
N2 - 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.
AB - 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.
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U2 - 10.1002/pssb.200301848
DO - 10.1002/pssb.200301848
M3 - Article
AN - SCOPUS:0242362580
SN - 0370-1972
VL - 239
SP - 389
EP - 398
JO - Physica Status Solidi (B): Basic Research
JF - Physica Status Solidi (B): Basic Research
IS - 2
ER -