Calculation of Spin Orbit Coupling of Tungsten (III) Complexes: A DFT Application
نویسندگان
چکیده
منابع مشابه
Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.
Enabling the rational synthesis of molecular candidates for quantum information processing requires design principles that minimize electron spin decoherence. Here we report a systematic investigation of decoherence via the synthesis of two series of paramagnetic coordination complexes. These complexes, [M(C2O4)3](3-) (M = Ru, Cr, Fe) and [M(CN)6](3-) (M = Fe, Ru, Os), were prepared and interro...
متن کاملSpin Current in Spin Orbit Coupling Systems
We present a simple and pedagogical derivation of the spin current as the linear response to an external electric field for both Rashba and Luttinger spin–orbital coupling Hamiltonians. Except for the adiabatic approximation, our derivation is exact to the linear order of the electric field for both models. The spin current is a direct result of the difference in occupation levels between diffe...
متن کاملIntrinsic spin torque without spin-orbit coupling.
We derive an intrinsic contribution to the non-adiabatic spin torque for non-uniform magnetic textures. It differs from previously considered contributions in several ways and can be the dominant contribution in some models. It does not depend on the change in occupation of the electron states due to the current flow but rather is due to the perturbation of the electronic states when an electri...
متن کاملPredicting the spin state of paramagnetic iron complexes by DFT calculation of proton NMR spectra.
Many transition-metal complexes easily change their spin state S in response to external perturbations (spin crossover). Determining such states and their dynamics can play a central role in the understanding of useful properties such as molecular magnetism or catalytic behavior, but is often far from straightforward. In this work we demonstrate that, at a moderate computational cost, density f...
متن کاملSpin injection into a superconductor with strong spin-orbit coupling.
We demonstrate spin injection into superconducting Nb by employing a spin absorption technique in lateral spin valve structures. Spin currents flowing in a nonmagnetic Cu channel are preferably absorbed into Nb due to its strong spin-orbit interaction, the amount of which dramatically changes below or above the superconducting critical temperature (TC). The charge imbalance effect observed in t...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Oriental Journal of Chemistry
سال: 2017
ISSN: 0970-020X,2231-5039
DOI: 10.13005/ojc/330263