scholarly journals Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities

Materials ◽  
2019 ◽  
Vol 12 (3) ◽  
pp. 524 ◽  
Author(s):  
Stanislav Repetsky ◽  
Iryna Vyshyvana ◽  
Yasuhiro Nakazawa ◽  
Sergei Kruchinin ◽  
Stefano Bellucci

We employ Green’s function method for describing multiband models with magnetic impurities and apply the formalism to the problem of chromium impurities adsorbed onto a carbon nanotube. Density functional theory is used to determine the bandstructure, which is then fit to a tight-binding model to allow for the subsequent Green’s function description. Electron–electron interactions, electron–phonon coupling, and disorder scattering are all taken into account (perturbatively) with a theory that involves a cluster extension of the coherent potential approximation. We show how increasing the cluster size produces more accurate results and how the final calculations converge as a function of the cluster size. We examine the spin-polarized electrical current on the nanotube generated by the magnetic impurities adsorbed onto the nanotube surface. The spin polarization increases with both increasing concentration of chromium impurities and with increasing magnetic field. Its origin arises from the strong electron correlations generated by the Cr impurities.

2007 ◽  
Vol 111 (26) ◽  
pp. 5692-5702 ◽  
Author(s):  
Jeffrey R. Reimers ◽  
Gemma C. Solomon ◽  
Alessio Gagliardi ◽  
Ante Bilić ◽  
Noel S. Hush ◽  
...  

2017 ◽  
Vol 58 (3) ◽  
pp. 033505 ◽  
Author(s):  
Ramis Movassagh ◽  
Gilbert Strang ◽  
Yuta Tsuji ◽  
Roald Hoffmann

Author(s):  
Lin Huang ◽  
Yu-Jia Zeng ◽  
Dan Wu ◽  
Nan-Nan Luo ◽  
Ye-Xin Feng ◽  
...  

Achieving high tunneling magnetoresistance (TMR) in molecular-scale junctions is attractive for their applications in spintronics. By using density-functional theory (DFT) in combination with the nonequilibrium Green's function (NEGF) method, we...


2021 ◽  
Vol 7 (2) ◽  
pp. eabd4248
Author(s):  
Fengmiao Li ◽  
Yuting Zou ◽  
Myung-Geun Han ◽  
Kateryna Foyevtsova ◽  
Hyungki Shin ◽  
...  

Titanium monoxide (TiO), an important member of the rock salt 3d transition-metal monoxides, has not been studied in the stoichiometric single-crystal form. It has been challenging to prepare stoichiometric TiO due to the highly reactive Ti2+. We adapt a closely lattice-matched MgO(001) substrate and report the successful growth of single-crystalline TiO(001) film using molecular beam epitaxy. This enables a first-time study of stoichiometric TiO thin films, showing that TiO is metal but in proximity to Mott insulating state. We observe a transition to the superconducting phase below 0.5 K close to that of Ti metal. Density functional theory (DFT) and a DFT-based tight-binding model demonstrate the extreme importance of direct Ti–Ti bonding in TiO, suggesting that similar superconductivity exists in TiO and Ti metal. Our work introduces the new concept that TiO behaves more similar to its metal counterpart, distinguishing it from other 3d transition-metal monoxides.


2021 ◽  
Vol 154 (16) ◽  
pp. 164115
Author(s):  
Rebecca K. Lindsey ◽  
Sorin Bastea ◽  
Nir Goldman ◽  
Laurence E. Fried

2005 ◽  
Vol 242 (13) ◽  
pp. 2737-2750 ◽  
Author(s):  
O. Pulci ◽  
M. Marsili ◽  
E. Luppi ◽  
C. Hogan ◽  
V. Garbuio ◽  
...  

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