☆ 4.4 Article

Study of structural, electronic, and magnetic properties of L10-ordered CoPt and NiPt: An ab initio calculations and Monte Carlo simulation

SOLID STATE COMMUNICATIONS (2023)

Related references

Note: Only part of the references are listed.

Article Materials Science, Multidisciplinary

First-principles calculations to investigate magnetic, electronic, mechanical and dynamical properties of the bimetallic M-Pt (M: Mn Co and Ni) alloys

N. L. Lethole et al.

Summary: This study investigates the properties of L10 ordered M-Pt (M = Mn, Co and Ni) bimetallic alloys, including magnetic, electronic, mechanical and dynamical characteristics. First-principles calculations based on the Density Functional Theory (DFT) method and Generalized Gradient Approximation (GGA) functional were employed using the CASTEP simulation code. The results show that MnPt and NiPt alloys are stable at 0 K, while CoPt is metastable, consistent with experimental phase stability diagrams. The MnPt alloy exhibits higher magnetic properties compared to CoPt and NiPt, with magnetic spin values of 4.04 mu B, 2.52 mu B and 0.98 mu B, respectively. The MnPt and NiPt alloys are predicted to be mechanically and dynamically stable at ambient conditions, while CoPt is stable above 13 GPa. Additionally, all M-Pt systems exhibit strong uniaxial magneto-crystalline anisotropy, making them desirable for spintronic and magnetic recording devices.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2023)

Add to Collection

Article Chemistry, Multidisciplinary

Influence of oxygen and nitrogen doping on the structure and magnetic properties of CoNi alloy: First principle calculations

Abdalla Obeidat et al.

Summary: In this study, we investigated the effects of oxygen and nitrogen doping on the magnetic properties of CoNi alloy using density functional theory. Our calculations revealed that CoNi:ONi alloy exhibited enhanced saturation magnetization and slightly reduced magnetic crystalline anisotropy, while CoNi:OCo alloy showed a small reduction in both parameters. On the other hand, CoNi:NCo and CoNi:NNi alloys consistently exhibited reductions in saturation magnetization and magnetic crystalline anisotropy. Therefore, CoNi:ONi alloy could be suitable for permanent magnets.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2023)

Add to Collection

Article Materials Science, Multidisciplinary

Influence of oxygen and nitrogen doping on the structure and magnetic properties of FePt alloy: First principles calculations

Abdalla Obeidat et al.

Summary: We studied the magnetic and electronic properties of L10-FePt alloy interstitial doped by oxygen or nitrogen using tetragonal distortion. The density functional theory from first principle was applied, and the generalized gradient approximation (GGA) of Perdew-Burke-Ernzerhof (PBE) was used. We found that the magnetocrystalline anisotropy (MCA) significantly increased for FePt:NPt, reaching a value of 3.879 meV, exceeding the pristine value. The anisotropy field (Ha), saturation magnetization (Ms), and the energy product (BH)max were close to the pristine value, and these parameters can be tuned for practical applications.

COMPUTATIONAL MATERIALS SCIENCE (2023)

Add to Collection

Article Materials Science, Multidisciplinary

Magnetic properties of transition-metal atomic monolayer in nickel supercell: Density functional theory and Monte Carlo simulation

Khaled Aledealat et al.

Summary: The magnetic properties of 3d, 4d, and 5d transition-metal atomic mono-layers sandwiched in pure nickel were studied using DFT and MC methods. It was found that these transition metals can modify the magnetic properties of nickel, and the perpendicular and in-plane magnetocrystalline anisotropy energies show variations. The substitution effect of TM monolayers on exchange interactions extends to the third layer, and the Curie temperature changes depending on the TM and sandwich structure.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2022)

Add to Collection

Article Chemistry, Physical

Theoretical prediction of structure, electronic and optical properties of VH2 hydrogen storage material

Yong Pan et al.

Summary: Vanadium hydrides have better hydrogen storage capacity, with cubic VH2 hydride showing stability and tetragonal and orthorhombic VH2 hydrides exhibiting metallic behavior beneficial for hydrogen storage.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2022)

Add to Collection

Article Multidisciplinary Sciences

First-principles study of electronic structure and magnetic properties of L10-ordered FeNi, FePd, and FePt alloys

K. Aledealat et al.

Summary: The structural, electronic, and magnetic properties of L10-ordered FeM alloys (M = Ni, Pd, or Pt) were studied using first-principles method, revealing that the PBE approximation has the most accurate results for lattice parameters and that the most stable spin configuration is ferromagnetic. FePd and FePt alloys can transition from ferromagnetic to antiferromagnetic state by varying the tetragonality ratio, leading to the observation of a pseudogap. Large magnetocrystalline anisotropies were found in FePt alloy, while FePd and FeNi showed relatively lower values. Additionally, Heisenberg exchange interactions were calculated from first-principles and Green's functions formalism.

HELIYON (2021)

Add to Collection

Article Materials Science, Multidisciplinary

Mixed spin S=1 and S=1/2 layered lattice in Cu2F5

Dmitry M. Korotin et al.

Summary: The electronic and magnetic structure of the novel cuprate Cu2F5 was explored using DFT+U calculation, revealing a unique 2D-magnetism with strong anisotropy of exchange interaction. A very stable antiferromagnetic ordering was found, where the in-plane magnetic interaction is much stronger than the interplane interaction.

PHYSICAL REVIEW B (2021)

Add to Collection

Article Engineering, Electrical & Electronic

Impact of alloying elements (Co, Pt) on nickel stanogermanide formation

Andrea Quintero et al.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2020)

Add to Collection

Article Energy & Fuels

First-principles investigation of the structure, mechanical and hydrogen adsorption behavior ofNiPtnanoparticle

Yong Pan et al.

INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2020)

Add to Collection

Article Chemistry, Inorganic & Nuclear

The Magnetic Band-Structures of Ordered PtxFe1-x, PtxCo1-x, and PtxNi1-x (x = 0.25, 0.50, and 0.75)

Ian Shuttleworth

MAGNETOCHEMISTRY (2020)

Add to Collection

Article Materials Science, Multidisciplinary

Effect of non-Heisenberg magnetic interactions on defects in ferromagnetic iron

Jacob B. J. Chapman et al.

PHYSICAL REVIEW B (2020)

Add to Collection

Article Physics, Condensed Matter

First-principles study of mechanical and thermodynamic properties of intermetallic Pt3M (M = Al, Hf, Zr, Co, Y, Sc)

Zongbo Li et al.

COMPUTATIONAL CONDENSED MATTER (2020)

Add to Collection

Article Engineering, Electrical & Electronic

Thermal Annealing Effects on the Electrical and Structural Properties of Ni/Pt Schottky Contacts on the Quaternary AlInGaN Epilayer

Engin Arslan et al.

JOURNAL OF ELECTRONIC MATERIALS (2019)

Add to Collection

Article Materials Science, Multidisciplinary

Effect of disorder on the optical response of NiPt and Ni3Pt alloys

Banasree Sadhukhan et al.

COMPUTATIONAL MATERIALS SCIENCE (2017)

Add to Collection

Article Physics, Condensed Matter

Electronic structure of CoPt based systems: from bulk to nanoalloys

L. Zosiak et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2015)

Add to Collection

Article Materials Science, Multidisciplinary

Calculation of exchange constants of the Heisenberg model in plane-wave-based methods using the Green's function approach

Dm. M. Korotin et al.

PHYSICAL REVIEW B (2015)

Add to Collection

Article Materials Science, Multidisciplinary

Electronic structure and magnetic properties of L10 binary alloys

Alexander Edstrom et al.

PHYSICAL REVIEW B (2014)

Add to Collection

Article Materials Science, Multidisciplinary

Spin-chain magnetism and uniform Dzyaloshinsky-Moriya anisotropy in BaV3O8

Alexander A. Tsirlin

PHYSICAL REVIEW B (2014)

Add to Collection

Article Engineering, Electrical & Electronic

Intrinsic Properties of Fe-Substituted L10 Magnets

P. Manchanda et al.

IEEE TRANSACTIONS ON MAGNETICS (2013)

Add to Collection

Article Physics, Condensed Matter

The origin of perpendicular magneto-crystalline anisotropy in L10-FeNi under tetragonal distortion

Yoshio Miura et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2013)

Add to Collection

Article Materials Science, Multidisciplinary

Ab-initio calculation of effective exchange interactions, spin waves, and Curie temperature in L21- and L12-type local moment ferromagnets

I. Galanakis et al.

JOURNAL OF MATERIALS SCIENCE (2012)

Add to Collection

Article Physics, Condensed Matter

Fully relativistic pseudopotential formalism under an atomic orbital basis: spin-orbit splittings and magnetic anisotropies

R. Cuadrado et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2012)

Add to Collection

Article Physics, Multidisciplinary

Relationship between Magnetocrystalline Anisotropy and Orbital Magnetic Moment in L10-Type Ordered and Disordered Alloys

Yohei Kota et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2012)

Add to Collection

Article Chemistry, Physical

Magneto-optical properties of transition metal compounds XPt3 (X = V, Cr, Mn, Fe, Co) and X3Pt (X = Fe, Co)

Manish Kumar et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2009)

Add to Collection

Article Physics, Condensed Matter

Density-functional theory of the magnetic anisotropy of nanostructures: an assessment of different approximations

Piotr Blonski et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Add to Collection

Article Physics, Condensed Matter

A theoretical study of half-metallic antiferromagnetic diluted magnetic semiconductors

L. Bergqvist et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2007)

Add to Collection

Article Chemistry, Physical

Size and shape control of monodisperse FePt nanoparticles

Vikas Nandwana et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2007)

Add to Collection

Article Physics, Condensed Matter

Magnetism of iron:: from the bulk to the monatomic wire

Gabriel Autes et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2006)

Add to Collection

Article Chemistry, Physical

Structure and magnetism of 3d and 4d transition-metal alloys TT′ (T = Mn, Fe and T′= Rh, Pd) with CuAu-I type ordered structure

H Yamada et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2006)

Add to Collection

Article Materials Science, Multidisciplinary

Magnetic anisotropy of L10 FePt and Fe1-xMnxPt -: art. no. 134411

T Burkert et al.

PHYSICAL REVIEW B (2005)

Add to Collection

Article Materials Science, Multidisciplinary

Linear response approach to the calculation of the effective interaction parameters in the LDA+U method

M Cococcioni et al.

PHYSICAL REVIEW B (2005)

Add to Collection

Article Physics, Condensed Matter

Long-range chemical order effects upon the magnetic anisotropy of FePt alloys from an ab initio electronic structure theory

JB Staunton et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2004)

Add to Collection

Article Physics, Applied

Magnetism of L10 compounds with the composition MT (M = Rh, Pd, Pt, Ir and T = Mn, Fe, Co, Ni)

A Kashyap et al.

JOURNAL OF APPLIED PHYSICS (2004)

Add to Collection

Article Materials Science, Multidisciplinary

Coulomb correlations and magnetic anisotropy in ordered L10 CoPt and FePt alloys -: art. no. 172407

AB Shick et al.

PHYSICAL REVIEW B (2003)

Add to Collection

Review Materials Science, Multidisciplinary

Large magnetocrystalline anisotropy in bilayer transition metal phases from first-principles full-potential calculations -: art. no. 144409

P Ravindran et al.

PHYSICAL REVIEW B (2001)

Add to Collection

Article Materials Science, Multidisciplinary

Perpendicular magnetic anisotropy of binary alloys:: A total-energy calculation

I Galanakis et al.

PHYSICAL REVIEW B (2000)

Add to Collection

© Peeref 2019-2024. All rights reserved.