Spin polarization DFT : Non-collinear DFT
In the presence of emergent spin-polarization, a reduction or a magnification of the Seebeck coefficient is seen due to a spin-dependent phase 🤑🤑..🧑🌥.🎼. by K Tada · 2019 · Cited by 33 — An estimation scheme is established for the spin contamination error (SCE) in spin-polarized density functional theory calculations with the plane-wave basis 🎡.🏞..🏭♍️♍️.
2022 · Cited by 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 🌽.🚌🐩🐩.📲🥑.🍏💝💝. A fully unconstrained non-collinear density functional theory (DFT) is supported including the spin-orbit coupling (SOC) [8,9,10,11,15]🍠🕸🕸. When .🐝🉑🉑.😠😠. 🐗🐗.
Density functional perturbational orbital theory of spin polarization in electronic systems. 🍛.🕛🕛.🔞🔞. spin density functional theory (DFT)🚛🤫🤫. Based on the spin 😔.🥣👽👽.🚇😐😐.😂.
