Spin polarization DFT : Current-induced spin polarization in chiral tellurium
The calculated indirect band gap is 0.575 eV and the direct band gap is 1🏨🐐.353 eV at 〽️. When comparing the band structure of the Cudisordered CuCrS 2 to that of ⛽️🙄..💜💜.. Herein, we employed density functional theory in conjunction with spin–orbit coupling to evaluate the percent spin-polarization in a device .♏️♏️.🛶🐋.🚅🌴🌴.
2022 · 被引用次数：18 — Our density functional theory (DFT) calculations indicate that the adsorption energy of 3🕑🕑.71 eV (see Figure 1d,e for the structure) is high 👏.🈹🚫.👴.🕖. The computed magnetoresistance ratio is, however, quite small ( )🥩🥩. Finally, we conclude by arguing that CISP, as treated within the DFT + NEGF 🔓.🕧.👎.🚸.
The basic idea is to divide the molecule into several fragments, and then choose different charges and spin values for each fragment according to what we think 📡😐..🌏.🕜.
