Cargando…

First-principles study of the complex magnetism in Fe(16)N(2)

Magnetic exchange interactions in pure and vanadium (V)-doped Fe(16)N(2) are studied within the framework of density functional theory (DFT). The Curie temperatures were obtained via both mean field approximation (MFA) and Monte Carlo (MC) calculations based on interactions that were obtained throug...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bhattacharjee, Satadeep, Lee, Seung-Cheol
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6557845/ https://www.ncbi.nlm.nih.gov/pubmed/31182741 http://dx.doi.org/10.1038/s41598-019-44799-8

Ejemplares similares

An improved d-band model of the catalytic activity of magnetic transition metal surfaces
por: Bhattacharjee, Satadeep, et al.
Publicado: (2016)

A systematic first principle method to study magnetic properties of FeMo, CoMo and NiMo
por: Bhattacharjee, A K, et al.
Publicado: (2003)

First-Principles Study of B(16)N(16) Cluster-Assembled Porous Nanomaterials
por: Wang, Xin, et al.
Publicado: (2023)

First-Principles Study on the Thermoelectric Properties of FeAsS
por: Zhu, Lin, et al.
Publicado: (2018)

First-principle study of structural, electronic and magnetic properties of (FeC)(n) (n = 1–8) and (FeC)(8)TM (TM = V, Cr, Mn and Co) clusters
por: Li, Cheng-Gang, et al.
Publicado: (2017)

First Principles Prediction of the Magnetic Properties of Fe-X(6) (X = S, C, N, O, F) Doped Monolayer MoS(2)
por: Feng, Nan, et al.
Publicado: (2014)

Anisotropic Growth and Magnetic Properties of α″-Fe(16)N(2)@C Nanocones
por: Li, Yong, et al.
Publicado: (2021)

First-principles study of electronic structure and magnetic properties of L1(0)-ordered FeNi, FePd, and FePt alloys
por: Aledealat, K., et al.
Publicado: (2021)

Magnetic Properties and Spontaneous Polarization of La-, Mn- and N-Doped Tetragonal BiFeO(3): A First-Principles Study
por: Tan, Qiuhong, et al.
Publicado: (2018)

First-Principles Study on the Cu/Fe Interface Properties of Ternary Cu-Fe-X Alloys
por: Wang, Yufei, et al.
Publicado: (2020)

Pressure-induced magnetic moment abnormal increase in Mn(2)FeAl and non-continuing decrease in Fe(2)MnAl via first principles
por: Ze-Jin, Yang, et al.
Publicado: (2017)

Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe(3)N/BaTiO(3) heterostructures: first-principles calculations
por: Li, Zirun, et al.
Publicado: (2023)

First-principles calculations of structural, electronic, magnetic and elastic properties of Mo(2)FeB(2) under high pressure
por: Wang, Bin, et al.
Publicado: (2018)

Superparamagnetic, High Magnetic α-Fe & α″-Fe(16)N(2) Mixture Prepared from Inverse Suspension-Polymerized Fe(3)O(4)@polyaniline Composite
por: Wang, Yen-Zen, et al.
Publicado: (2021)

First-principles calculations on Fe-Pt nanoclusters of various morphologies
por: Platonenko, Alexander, et al.
Publicado: (2017)

First-principles study on structural, electronic, magnetic and thermodynamic properties of lithium ferrite LiFe(5)O(8)
por: Kim, Su-Yong, et al.
Publicado: (2022)

Structural and magnetic properties of ternary Fe(1–)(x)Mn(x)Pt nanoalloys from first principles
por: Gruner, Markus E, et al.
Publicado: (2011)

First Principle Study of the Mechanical Properties and Phonon Dispersion of the Iron Pnictide Compound EuFe(2)As(2)
por: Omboga, N. K., et al.
Publicado: (2020)

First-Principles Study of Nitrogen Adsorption and Dissociation on ZrMnFe(110) Surface
por: Yang, Qiaobin, et al.
Publicado: (2023)

Ferroelectrically tunable magnetism in BiFeO(3)/BaTiO(3) heterostructure revealed by the first-principles calculations
por: Wang, Wenxuan, et al.
Publicado: (2020)

First-Principles Study on Stability and Magnetism of Ni(m)Al(n) (m = 1–3, n = 1–9) Clusters
por: Zhang, Xiao, et al.
Publicado: (2013)

First-Principles Study on the Stability, Site Preference, Electronic Structure and Magnetism of Alloyed Fe(3)B with Ni(3)P-Type Structure
por: Wei, Xiang, et al.
Publicado: (2022)

Electrophile-promoted Fe-to-N(2) hydride migration in highly reduced Fe(N(2))(H) complexes
por: Deegan, Meaghan M., et al.
Publicado: (2018)

First Principle Study of TiB(2) (0001)/γ-Fe (111) Interfacial Strength and Heterogeneous Nucleation
por: Wang, Qin, et al.
Publicado: (2021)

Synthesis of Fe(16)N(2) compound Free-Standing Foils with 20 MGOe Magnetic Energy Product by Nitrogen Ion-Implantation
por: Jiang, Yanfeng, et al.
Publicado: (2016)

Magnetic MoS(2) pizzas and sandwiches with Mn(n) (n = 1–4) cluster toppings and fillings: A first-principles investigation
por: Zhang, Meng, et al.
Publicado: (2016)

Synthesis of α′′-Fe(16)N(2) ribbons with a porous structure
por: Liu, Jinming, et al.
Publicado: (2019)

Electronic Structure of Monolayer FeSe on Si(001) from First Principles
por: Carva, Karel, et al.
Publicado: (2022)

First-Principles Study of Ir(n) (n = 3–5) Clusters Adsorbed on Graphene and Hexagonal Boron Nitride: Structural and Magnetic Properties
por: Ge, Mei, et al.
Publicado: (2022)

First-principles calculations of perpendicular magnetic anisotropy in Fe(1−x)Co(x)/MgO(001) thin films
por: Cai, Guanzhi, et al.
Publicado: (2015)

First-principles study of magnetism in some novel MXene materials
por: Luo, Kan, et al.
Publicado: (2020)

Structural, electronic, magnetic, half-metallic, mechanical, and thermodynamic properties of the quaternary Heusler compound FeCrRuSi: A first-principles study
por: Wang, Xiaotian, et al.
Publicado: (2017)

Electronic and Magnetic Properties of Stone–Wales Defected Graphene Decorated with the Half-Metallocene of M (M = Fe, Co, Ni): A First Principle Study
por: Xie, Kefeng, et al.
Publicado: (2018)

Comparative Analysis of LiMPO(4) (M = Fe, Co, Cr, Mn, V) as Cathode Materials for Lithium-Ion Battery Applications—A First-Principle-Based Theoretical Approach
por: Kanungo, Sayan, et al.
Publicado: (2022)

First-Principles Study of the Magnetic and Electronic Structure of NdB(4)
por: Tao, Pengyan, et al.
Publicado: (2023)

A first-principles study of the effect of vacancy defects on the electronic structures of greigite (Fe(3)S(4))
por: Wu, Min, et al.
Publicado: (2018)

First principles and mean field study on the magnetocaloric effect of YFe(3) and HoFe(3) compounds
por: Abu-Elmagd, Mohammed Said Mohammed, et al.
Publicado: (2023)

Complex Study of Magnetization Reversal Mechanisms of FeNi/FeMn Bilayers Depending on Growth Conditions
por: Gritsenko, Christina, et al.
Publicado: (2022)

Structural, Magnetic and Electronic Properties of 3d Transition-Metal Atoms Adsorbed Monolayer BC(2)N: A First-principles Study
por: Chen, Feng, et al.
Publicado: (2019)

Accurate Prediction of Band Structure of FeS(2): A Hard Quest of Advanced First-Principles Approaches
por: Zhang, Min-Ye, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_2egfp53giig37coqus2935s947