Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet
Using density functional theory we perform theoretical investigations of the electronic
properties of a freestanding one-dimensional organometallic vanadium-benzene wire. This …
properties of a freestanding one-dimensional organometallic vanadium-benzene wire. This …
One-dimensional transition metal− benzene sandwich polymers: possible ideal conductors for spin transport
We investigate the electronic and magnetic properties of the proposed one-dimensional
transition metal (TM= Sc, Ti, V, Cr, and Mn)− benzene (Bz) sandwich polymers by means of …
transition metal (TM= Sc, Ti, V, Cr, and Mn)− benzene (Bz) sandwich polymers by means of …
Intercalation of transition metals into stacked benzene rings: a model study of the intercalation of transition metals into bilayered graphene
Structures of neutral metal–dibenzene complexes, M (C6H6) 2 (M= Sc–Zn), are investigated
by using Møller–Plesset second order perturbation theory (MP2). The benzene molecules …
by using Møller–Plesset second order perturbation theory (MP2). The benzene molecules …
Theoretical investigation of electric and magnetic properties of benzene–vanadium sandwich complex chain
We investigate the electric and magnetic properties of a benzene–vanadium complex chain
[V (C 6 H 6)]∞. By performing first principles calculation based on the spin-polarized density …
[V (C 6 H 6)]∞. By performing first principles calculation based on the spin-polarized density …
Diameter dependent magnetic and electronic properties of single-walled carbon nanotubes with Fe nanowires
M Kisaku, MDM Rahman, T Kishi… - Japanese journal of …, 2005 - iopscience.iop.org
We investigate the electronic and magnetic properties of single-walled carbon nanotubes
(SWNTs) filled with Fe nanowires, based on the spin-polarized density functional theory. We …
(SWNTs) filled with Fe nanowires, based on the spin-polarized density functional theory. We …
Ultrashort Mn–Mn Bonds in Organometallic Complexes
T Alonso-Lanza, JW González… - The Journal of …, 2017 - ACS Publications
Manganese metallocenes larger than the experimentally produced sandwiched MnBz2
compound are studied using several density functional theory methods. First, we show that …
compound are studied using several density functional theory methods. First, we show that …
Ortho–para H2 conversion on multiple-decked sandwich clusters of M (C6H6) 2 (M= Mn, Fe, Co) induced by an inhomogeneity of spin density distribution
Effect of inhomogeneity of spin density distribution on the o–p H2 conversion is investigated
by considering the interaction between H2 and multiple-decked sandwich clusters of M …
by considering the interaction between H2 and multiple-decked sandwich clusters of M …
[PDF][PDF] np 共掺杂材料体系自旋电子学性质研究进展
高瑞灵， 常茂枝， 齐世飞 - 低温物理学报, 2020 - dwwl.ustc.edu.cn
掺杂在调控材料体系的物理化学性质方面起着重要的作用. np 共掺杂方法借助n 型和p
型掺杂物间强的静电相互作用, 能够解决一些材料体系研究中存在的关键性问题 …
型掺杂物间强的静电相互作用, 能够解决一些材料体系研究中存在的关键性问题 …
Tuning the electronic structure and magnetic properties of graphene by π–π stacking with VmBzn (m≤ 2, n≤ 3) molecular nanomagnets
Generating magnetism in graphene is essential to the development of graphene-based
spintronics. By using first-principles calculation methods, we propose a new scheme based …
spintronics. By using first-principles calculation methods, we propose a new scheme based …
Low Dimensional Nanomaterials for Spintronics
Moore's Law in microelectronic technology will break down as the size of individual bits
approaches the dimension of atoms; this has been called the end of the silicon road map …
approaches the dimension of atoms; this has been called the end of the silicon road map …