Abstract
Nowadays, In the present study, inverse Heusler alloy based spin-gapless semiconductor (SGS), Ti2MnAl is investigated using full potential linearized augmented plane wave (FPLAPW) method implemented in WIEN2k crystal programme. Our investigation reveals that this alloy behaves as SGS, with zero total magnetic moment, for equilibrium lattice constant (6.23 Å). Further, it keeps its spin gapless state within -15% to 10% uniform strain. On the other hand, for -5% of tetragonal strain, the system behaves as SGS whereas the positive 5% tetragonal strain completely destroys the spin-gapless character of Ti2MnAl Heusler alloy. The up-spin band gap for Ti2MnAl is 0.55 eV and 0 eV for spin down channel for equilibrium lattice constant. It varies up to a maximum value of 0.31 eV and 0.36 eV for positive and negative uniform strain, respectively. The value of this gap for -5% and 5% of tetragonal strain is 0.51 eV and 0.46 eV, respectively. Our calculations provide an exhaustive data to be compared with future experiments and advocate the future applications of this alloy in spintronic applications.
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