Strain manipulation of the local spin flip on Ni@ B 80 endohedral fullerene

S Xu, Y Zhang, R Huang, J Liu, W Jin… - Physical Chemistry …, 2021 - pubs.rsc.org
Using first principles, we theoretically investigate the strain manipulation of the ultrafast spin–
flip processes on the Ni@ B80 endohedral fullerene by using highly correlated quantum …

Structural, Electronic and Adsorption Characteristics of Transition Metal doped TM@C70 Endohedral Fullerenes

S Caliskan - Journal of Cluster Science, 2021 - Springer
Structural, electronic and adsorption characteristics of TM@ C 70 (TM= V, Cr, Mn, Fe, Co, Ni)
endohedral fullerenes are addressed by first principles calculations, through density …

Formation of “hemp flowers” structures from polyphenyl induced by C70

D Zhang, R Liang, H Yang, Y Song, J Shi, D Zhang… - Surfaces and …, 2021 - Elsevier
In this manuscript, the structure liking a Chinese food “hemp flowers” is formed through
polyphenyl which is induced by C70. The whole formation process is tracked by the …

Endohedral Fullerene Fe@C28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study

K Xu, T Yang, Y Feng, X Ruan, Z Liu, G Liang, X Wang - Nanomaterials, 2019 - mdpi.com
We present a theoretical study on the adsorption and spin transport properties of magnetic
Fe@ C28 using Ab initio calculations based on spin density functional theory and non …

The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems

H Khalatbari, SI Vishkayi, HR Soleimani - Scientific Reports, 2020 - nature.com
Based on density functional theory and non-equilibrium Green's function formalism, we
explore the effect of Fe atom in Au-Fe@ C20-Au monomer and dimer systems in comparison …

First-principle study of spin transport in GaAs-Adenine-GaAs semi-conductor tunnel junction

D Dey, P Roy, D De - 2020 IEEE VLSI DEVICE CIRCUIT AND …, 2020 - ieeexplore.ieee.org
The spin transport phenomenon in Adenine based semi-conducting tunnel junction using
GaAs semiconductor nano ribbon electrodes has been reported using Density Functional …