First-principles calculation of the Dzyaloshinskii-Moriya interaction: A Green's function approach

نویسندگان

چکیده

We present a Greens function approach to calculate the Dzyaloshinskii-Moriya interactions (DMI) from first principles electronic structure calculations, that is computationally more efficient and accurate than most-commonly employed supercell generalized Bloch-based approaches. The method applied (111) Co/Pt bilayer where Co- and/or Pt-thickness dependence of DMI coefficients are calculated. Overall, calculated in relatively good agreement with corresponding values reported experimentally. Furthermore, we investigate effect strain tensor elements show isotropic N\'{e}el can be significantly modulated by normal strains, $\epsilon_{xx},\epsilon_{yy}$ insensitive shear strain, $\epsilon_{xy}$. Moreover, anisotropic $(\epsilon_{xx}-\epsilon_{yy})$ $\epsilon_{xy}$, result emergence N\'{e}el- Bloch-type DMIs, respectively.

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ژورنال

عنوان ژورنال: Physical review

سال: 2021

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.103.094410