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

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.

scholarly journals Ferromagnetism and giant magnetoresistance in zinc-blende FeAs monolayers embedded in semiconductor structures

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Le Duc Anh ◽  
Taiki Hayakawa ◽  
Yuji Nakagawa ◽  
Hikari Shinya ◽  
Tetsuya Fukushima ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Curie Temperature ◽  
First Principles ◽  
Giant Magnetoresistance ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Semiconductor Structures ◽  
Zinc Blende ◽  
Quantum Ground States

AbstractMaterial structures containing tetrahedral FeAs bonds, depending on their density and geometrical distribution, can host several competing quantum ground states ranging from superconductivity to ferromagnetism. Here we examine structures of quasi two-dimensional (2D) layers of tetrahedral Fe-As bonds embedded with a regular interval in a semiconductor InAs matrix, which resembles the crystal structure of Fe-based superconductors. Contrary to the case of Fe-based pnictides, these FeAs/InAs superlattices (SLs) exhibit ferromagnetism, whose Curie temperature (TC) increases rapidly with decreasing the InAs interval thickness tInAs (TC ∝ tInAs−3), and an extremely large magnetoresistance up to 500% that is tunable by a gate voltage. Our first principles calculations reveal the important role of disordered positions of Fe atoms in the establishment of ferromagnetism in these quasi-2D FeAs-based SLs. These unique features mark the FeAs/InAs SLs as promising structures for spintronic applications.

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.

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

To Bend or Not to Bend, the Dilemma of Multiple Bonds

2019 ◽  
Author(s):  
Michele Pizzocchero ◽  
Matteo Bonfanti ◽  
Rocco Martinazzo
Keyword(s):  
First Principles ◽  
2D Materials ◽  
Main Group ◽  
First Principles Calculations ◽  
Group 14 ◽  
Multiple Bonds ◽  
Main Group Elements ◽  
Structural Distortions

The manuscript addresses the issue of the structural distortions occurring at multiple bonds between high main group elements, focusing on group 14. These distortions are known as trans-bending in silenes, disilenes and higher group analogues, and buckling in 2D materials likes silicene and germanene. A simple but correlated \sigma + \pi model is developed and validated with first-principles calculations, and used to explain the different behaviour of second- and higher- row elements.

Thermodynamic Stability of Hexagonal and Rhombohedral Bn at Cvd Conditions from Van der Waals Corrected First Principles Calculations

2019 ◽  
Author(s):  
Henrik Pedersen ◽  
Björn Alling ◽  
Hans Högberg ◽  
Annop Ektarawong
Keyword(s):  
Thin Films ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Thermal Equilibrium ◽  
Density Functional ◽  
Van Der Waals ◽  
Chemical Vapor ◽  
First Principles Calculations ◽  
Functional Theory ◽  
The Stability

Thin films of boron nitride (BN), particularly the sp<sup>2</sup>-hybridized polytypes hexagonal BN (h-BN) and rhombohedral BN (r-BN) are interesting for several electronic applications given band gaps in the UV. They are typically deposited close to thermal equilibrium by chemical vapor deposition (CVD) at temperatures and pressures in the regions 1400-1800 K and 1000-10000 Pa, respectively. In this letter, we use van der Waals corrected density functional theory and thermodynamic stability calculations to determine the stability of r-BN and compare it to that of h-BN as well as to cubic BN and wurtzitic BN. We find that r-BN is the stable sp<sup>2</sup>-hybridized phase at CVD conditions, while h-BN is metastable. Thus, our calculations suggest that thin films of h-BN must be deposited far from thermal equilibrium.

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