Open AccessEffect of Fe and Co on the electronic structure of (110) martensite twin boundary in Ni2MnGa alloy
Author(s) -
Wan Jian-Feng,
Yanqiong Fei,
Jiang Wang
Publication year - 2006
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.55.2444
Subject(s) - materials science , crystal twinning , condensed matter physics , alloy , cobalt , martensite , density functional theory , electronic structure , boundary (topology) , magnetic moment , magnetic shape memory alloy , metallurgy , magnetic domain , microstructure , computational chemistry , magnetization , magnetic field , physics , chemistry , mathematical analysis , mathematics , quantum mechanics
Effect of iron and cobalt on the electronic structure of (110) martensite twin boundary in Ni2MnGa alloy have been investigated by using density functional theory (DFT), including twin boundary energy, segregation energy, magnetic moment, bond order and electronic density of states. The calculation results demonstrated that cobalt has a stronger doping effect on the twin interface than iron, and has less influence on the magnetic property of the twin boundary than the latter.