Giant magnetoresistance and perfect spin filter effects in manganese phthalocyanine based molecular junctions

Nanoscale ◽  
2017 ◽  
Vol 9 (34) ◽  
pp. 12684-12689 ◽  
Author(s):  
L. L. Tao ◽  
J. Wang
Keyword(s):  
First Principles ◽  
Giant Magnetoresistance ◽  
Molecular Junctions ◽  
Molecular Junction ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Magnetoresistance Effect ◽  
Filter Effects

The spin-filter transport and magnetoresistance effect in the manganese phthalocyanine based molecular junction are investigated by first-principles calculations.

scholarly journals Negative differential resistance and spin filter effects in VS2 monolayers

RSC Advances ◽  
2017 ◽  
Vol 7 (54) ◽  
pp. 33733-33736
Author(s):  
G. W. Peng ◽  
L. Zhu ◽  
K. L. Yao
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Function Method ◽  
Spin Current ◽  
Differential Resistance ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Non Equilibrium Green’S Function ◽  
Filter Effects

We have calculated the spin current based on the bias voltage, band structure and transmission spectrum for VS2 monolayers along the zigzag and armchair orientations by first-principles calculations combined with the non-equilibrium Green's function method.

scholarly journals Symmetry-Dependent Spin Transport Properties and Spin-Filter Effects in Zigzag-Edged Germanene Nanoribbons

2015 ◽  
Vol 2015 ◽  
pp. 1-10 ◽  
Author(s):  
Can Cao ◽  
Mengqiu Long ◽  
Xiancheng Mao
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Mirror Plane ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Linear Current ◽  
Current Voltage ◽  
Resistance State ◽  
Parallel Configuration ◽  
Dependent Transport

We performed the first-principles calculations to investigate the spin-dependent electronic transport properties of zigzag-edged germanium nanoribbons (ZGeNRs). We choose of ZGeNRs with odd and even widths of 5 and 6, and the symmetry-dependent transport properties have been found, although theσmirror plane is absent in ZGeNRs. Furthermore, even-Nand odd-NZGeNRs have very different current-voltage relationships. We find that the even 6-ZGeNR shows a dual spin-filter effect in antiparallel (AP) magnetism configuration, but the odd 5-ZGeNR behaves as conventional conductors with linear current-voltage dependence. It is found that when the two electrodes are in parallel configuration, the 6-ZGeNR system is in a low resistance state, while it can switch to a much higher resistance state when the electrodes are in AP configuration, and the magnetoresistance of 270% can be observed.

The spin-filter capability and giant magnetoresistance effect in vanadium–naphthalene sandwich cluster

2013 ◽  
Vol 14 (11) ◽  
pp. 2916-2924 ◽  
Author(s):  
Zhi Yang ◽  
Baolong Zhang ◽  
Xuguang Liu ◽  
Yongzhen Yang ◽  
Xiuyan Li ◽  
...  
Keyword(s):  
Giant Magnetoresistance ◽  
Spin Filter ◽  
Magnetoresistance Effect ◽  
Giant Magnetoresistance Effect

EFFECT OF TORSION ANGLE IN 4,4′-BIPHENYLDITHIOL FUNCTIONALIZED MOLECULAR JUNCTION

2011 ◽  
Vol 25 (05) ◽  
pp. 699-710
Author(s):  
CAI-JUAN XIA ◽  
CHANG-FENG FANG ◽  
PENG ZHAO ◽  
DE-SHENG LIU
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Torsion Angle ◽  
Switching Behavior ◽  
Molecular Junction ◽  
Side Group ◽  
First Principles Calculations ◽  
Molecular Memory ◽  
Torsion Angles ◽  
Phenyl Rings

Based on nonequilibrium Green's function and first-principles calculations, we investigate the electronic transport properties of 4,4′-biphenyldithiol functionalized molecular junction with different torsion angles between two phenyl rings. Numerical results show that torsion angle plays an important role in the conducting behavior of molecular junction. By changing the torsion angle, molecule can exhibit a switching behavior. Especially, when the molecule is functionalized with NO 2 side group, it will perform a molecular memory effect. Furthermore, effects of different adsorption positions of sulfur atom on molecular memory are also discussed.

Mechanism of the Giant Magnetoresistance in UNiGa from First-Principles Calculations

1996 ◽  
Vol 77 (26) ◽  
pp. 5253-5256 ◽  
Author(s):  
V. N. Antonov ◽  
A. Ya. Perlov ◽  
P. M. Oppeneer ◽  
A. N. Yaresko ◽  
S. V. Halilov
Keyword(s):  
First Principles ◽  
Giant Magnetoresistance ◽  
First Principles Calculations

Electron Transport in Zigzag Graphene Nanoribbons with a Tetra-Vacancy Complex: A Perfect Spin Filter

2014 ◽  
Vol 937 ◽  
pp. 207-213 ◽  
Author(s):  
Wei Lu ◽  
San Huang Ke
Keyword(s):  
Electronic Structure ◽  
Electron Transport ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Wide Energy Range ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Spin Polarized ◽  
Wide Energy ◽  
Zigzag Graphene Nanoribbons

A novel doping scheme for graphene was recently realized experimentally by creating different vacancy complexes doped with a transition metal (TM) atom [nanoLett. 12, 141 (2012)]. This provides a new reliable way to modifying the electronic structure and transport property of graphene. Here, we show, by performing first-principles calculations, that the defect complex of TM@V4(a TM atom doped tetra-vacancy) in zigzag graphene nanoribbons (ZGNRs) can lead to a 100% spin-polarized electron transport in a wide energy range around the Fermi energy. Analyses show that this is due to the particular atomic structure of the TM@V4complex regardless of the species of the TM atom.

First principles calculations of electrical conductivity and giant magnetoresistance of periodic multilayers and spin valves (invited)

1996 ◽  
Vol 79 (8) ◽  
pp. 5282 ◽  
Author(s):  
W. H. Butler ◽  
X.-G. Zhang ◽  
D. M. C. Nicholson ◽  
T. C. Schulthess ◽  
J. M. MacLaren
Keyword(s):  
Electrical Conductivity ◽  
First Principles ◽  
Giant Magnetoresistance ◽  
Spin Valves ◽  
First Principles Calculations

scholarly journals Origin of the Dzyaloshinskii-Moriya Interactions in the Intermetallic RMn2Si2 ( R= La, Ce, Yb and Y) Materials: A DFT Study

2021 ◽  
Author(s):  
Widad Bazine ◽  
Najim TAHIRI ◽  
Omar Elbounagui ◽  
Hamid Ez-Zahraouy
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Density Of States ◽  
First Principles ◽  
Giant Magnetoresistance ◽  
Dft Study ◽  
Spin Orbit ◽  
First Principles Calculations ◽  
Strong Hybridization ◽  
Large Spin

Abstract The Dzyaloshinskii-Moriya interactions (DM) are investigated using first-principles calculations by means of the WIENNCM code, an implementation of the FP-LAPW method. The intermetallic RMn2Si2 (R = La, Ce, Yb, and Y) materials exhibit a large spin-orbit effect after the density of states; they found a strong hybridization between Mn-Si and Mn-R atoms. Also, show a large noncollinear magnetic configuration depending on the R atoms. By using ab-initio calculations, the RKKY effect is observed in the RMn2Si2 materials, which shows explicitly the existence of the giant magnetoresistance (GMR) in these materials. Explicitly, the mechanisms responsible for the magnetoelectric coupling are due to relatively the effect of the presence of the Dzyaloshinskii-Moriya term.

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