scholarly journals Highly spin-polarized electronic structure and magnetic properties of Mn2.25Co0.75Al1−xGex Heusler alloys: first-principles calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (38) ◽  
pp. 22556-22569
Author(s):  
Yue Wang ◽  
Liying Wang ◽  
Wenbo Mi
Keyword(s):  
First Principles ◽  
Heusler Alloys ◽  
Lattice Deformation ◽  
First Principles Calculations ◽  
Easy Magnetization ◽  
Magnetization Direction ◽  
Spin Polarized ◽  
Out Of Plane ◽  
Plane Direction ◽  
Easy Magnetization Direction

The complete spin polarizations of Mn2.25Co0.75Al1−xGex are proved to be robust against stoichiometric defect and lattice deformation, whose easy magnetization direction can be manipulated from in-plane direction to out-of-plane one under uniaxial strain.

The Influences of Depositing Angles on TbFe Film Magnetic and Magnetostrictive Characteristics

2005 ◽  
Vol 475-479 ◽  
pp. 3757-3760
Author(s):  
Hong Chuan Jiang ◽  
Wan Li Zhang ◽  
Bin Peng ◽  
Wen Xu Zhang ◽  
Shi Qing Yang
Keyword(s):  
External Field ◽  
Magnetic Domain ◽  
Grain Morphology ◽  
Dc Magnetron Sputtering ◽  
Easy Magnetization ◽  
Magnetization Direction ◽  
Saturation Field ◽  
Domain Structures ◽  
Columnar Grain ◽  
Easy Magnetization Direction

In this paper, the influences of depositing angles on TbFe film magnetic and magnetostrictive characteristics were discussed. TbFe films were deposited by DC magnetron sputtering. With the decrease of depositing angles from 900 to 150, TbFe film in-plane magnetization measured at 1600kA.m-1 external field is greatly increased. With the decrease of depositing angles from 900 to 150, the magnetostrictive saturation field is decreased. TbFe film in-plane magnetostriction is improved when depositing angles are changed from 900 to 150. Magnetic domain structures detected by MFM indicates that film easy magnetization direction is gradually changed from perpendicular to parallel with the decrease of depositing angles. The variation of film magnetic and magnetostrictive performances can be explained by the oblique anisotropy associated with columnar grain morphology of the films.

FIRST PRINCIPLES DENSITY FUNCTIONAL INVESTIGATION OF SUPPORTED TUNGSTEN CLUSTER (Wn; n = 1 TO 6) ON ANCHORED GRAPHITE (0001) SURFACE

2013 ◽  
Vol 02 (03n04) ◽  
pp. 1350015
Author(s):  
SONALI BARMAN ◽  
G. P. DAS ◽  
Y. KAWAZOE
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Metal Clusters ◽  
Theoretical Study ◽  
First Principles Calculations ◽  
Novel Technique ◽  
Defect Site ◽  
Positive Ions ◽  
Spin Polarized ◽  
Functional Investigation

Size-selected Wn clusters can be deposited firmly on a graphite (0001) surface using a novel technique, where the positive ions (of the same metal atom species) embedded on the graphite surface by ion implantation, act as anchors. The size selected metal clusters can then soft land on this anchored surface m [Hayakawa et al., 2009]. We have carried out a systematic theoretical study of the adsorption of Wn (n = 1-6) clusters on anchored graphite (0001) surface, using state-of-art spin-polarized density functional approach. In our first-principles calculations, the graphite (0001) surface has been suitably modeled as a slab separated by large vacuum layers. Wn clusters bond on clean graphite (0001) surface with a rather weak Van-der-Waals interaction. However, on the anchored graphite (0001) surface, the Wn clusters get absorbed at the defect site with a much larger adsorption energy. We report here the results of our first-principles investigation of this supported Wn cluster system, along with their reactivity trend as a function of the cluster size (n).

Magnetic quantum oscillations in doped antiferromagnets

2017 ◽  
Vol 31 (25) ◽  
pp. 1745015
Author(s):  
V. V. Kabanov
Keyword(s):  
Magnetic Field ◽  
Polar Angle ◽  
Two Dimensional ◽  
Plane Angle ◽  
Arbitrary Direction ◽  
Magnetization Direction ◽  
Quantum Oscillations ◽  
Out Of Plane ◽  
Plane Direction ◽  
Magnetic Quantum Oscillations

Energy spectrum of electrons (holes) doped into two-dimensional (2D) antiferromagnetic (AF) semiconductors is quantized in an external magnetic field of arbitrary direction. A peculiar dependence of de Haas–van Alphen (dHvA) magneto-oscillation amplitudes on the azimuthal in-plane angle from the magnetization direction and on the polar angle from the out-of-plane direction is found. The angular dependence of the amplitude is different if the measurements are performed in the field above and below of the spin-flop field.

scholarly journals Ab-Initio Study of the Electronic and Magnetic Properties of Boron- and Nitrogen-Doped Penta-Graphene

Nanomaterials ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 816 ◽  
Author(s):  
Chao Zhang ◽  
Yu Cao ◽  
Xing Dai ◽  
Xian-Yong Ding ◽  
Leilei Chen ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Charge Transfer ◽  
First Principles ◽  
Magnetic Moments ◽  
First Principles Calculations ◽  
Electronic Band ◽  
Magnetic Devices ◽  
Spin Polarized ◽  
Electronic Band Gap ◽  
Transfer Mechanisms

First-principles calculations were performed to investigate the effects of boron/nitrogen dopant on the geometry, electronic structure and magnetic properties of the penta-graphene system. It was found that the electronic band gap of penta-graphene could be tuned and varied between 1.88 and 2.12 eV depending on the type and location of the substitution. Moreover, the introduction of dopant could cause spin polarization and lead to the emergence of local magnetic moments. The main origin of the magnetic moment was analyzed and discussed by the examination of the spin-polarized charge density. Furthermore, the direction of charge transfer between the dopant and host atoms could be attributed to the competition between the charge polarization and the atomic electronegativity. Two charge-transfer mechanisms worked together to determine which atoms obtained electrons. These results provide the possibility of modifying penta-graphene by doping, making it suitable for future applications in the field of optoelectronic and magnetic devices.

scholarly journals Effect of Zn doping on phase transition and electronic structures of Heusler-type Pd2Cr-based alloys: from normal to all-d-metal Heusler

RSC Advances ◽  
2020 ◽  
Vol 10 (30) ◽  
pp. 17829-17835
Author(s):  
Xiaotian Wang ◽  
Mengxin Wu ◽  
Tie Yang ◽  
Rabah Khenata
Keyword(s):  
Phase Transition ◽  
Electronic Structure ◽  
First Principles ◽  
Electronic Structures ◽  
Heusler Alloys ◽  
First Principles Calculations ◽  
Zn Doping

By first-principles calculations, for Heusler alloys Pd2CrZ (Z = Al, Ga, In, Tl, Si, Sn, P, As, Sb, Bi, Se, Te, Zn), the effect of Zn doping on their phase transition and electronic structure has been studied in this work.

Band parameters for Zn1−xMoxTe studied by means of spin-polarized first-principles calculations

2019 ◽  
Vol 19 (1) ◽  
pp. 38-46
Author(s):  
M. Ajmal Khan ◽  
A. Gueddim ◽  
N. Bouarissa ◽  
H. Algarni ◽  
H. Ziani
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Spin Polarized
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