Cargando…

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni(2)MnSn

We have performed a quantum-mechanical study of a series of stoichiometric Ni [Formula: see text] MnSn structures focusing on pressure-induced changes in their magnetic properties. Motivated by the facts that (i) our calculations give the total magnetic moment of the defect-free stoichiometric Ni [F...

Descripción completa

Detalles Bibliográficos
Autores principales:	Friák, Martin, Mazalová, Martina, Turek, Ilja, Zemanová, Adéla, Kaštil, Jiří, Kamarád, Jiří, Míšek, Martin, Arnold, Zdeněk, Schneeweiss, Oldřich, Všianská, Monika, Zelený, Martin, Kroupa, Aleš, Pavlů, Jana, Šob, Mojmír
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7865924/ https://www.ncbi.nlm.nih.gov/pubmed/33499093 http://dx.doi.org/10.3390/ma14030523

Ejemplares similares

An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni(3)Si
por: Friák, Martin, et al.
Publicado: (2018)

Tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni(3)(Al,Si)
por: Friák, Martin, et al.
Publicado: (2017)

The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic fcc Ni
por: Mazalová, Martina, et al.
Publicado: (2020)

Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study
por: Šesták, Petr, et al.
Publicado: (2018)

An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides
por: Friák, Martin, et al.
Publicado: (2018)

An Ab Initio Study of Thermodynamic and Mechanical Stability of Heusler-Based Fe(2)AlCo Polymorphs
por: Friák, Martin, et al.
Publicado: (2018)

Origin of the Low Magnetic Moment in Fe(2)AlTi: An Ab Initio Study
por: Friák, Martin, et al.
Publicado: (2018)

A Quantum–Mechanical Study of Clean and Cr–Segregated Antiphase Boundaries in Fe(3)Al
por: Friák, Martin, et al.
Publicado: (2019)

The Effect of Hydrogen on the Stress-Strain Response in Fe(3)Al: An ab initio Molecular-Dynamics Study
por: Šesták, Petr, et al.
Publicado: (2021)

Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles
por: Polsterová, Svatava, et al.
Publicado: (2020)

Impact of Antiphase Boundaries on Structural, Magnetic and Vibrational Properties of Fe(3)Al
por: Friák, Martin, et al.
Publicado: (2020)

An Ab Initio Study of Magnetism in Disordered Fe-Al Alloys with Thermal Antiphase Boundaries
por: Friák, Martin, et al.
Publicado: (2019)

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases
por: Miháliková, Ivana, et al.
Publicado: (2019)

Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study
por: Miháliková, Ivana, et al.
Publicado: (2018)

Phase Stability of Iron Nitride Fe(4)N at High Pressure—Pressure-Dependent Evolution of Phase Equilibria in the Fe–N System
por: Wetzel, Marius Holger, et al.
Publicado: (2021)

Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies
por: Friák, Martin, et al.
Publicado: (2018)

Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule
por: Miháliková, Ivana, et al.
Publicado: (2022)

The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry
por: Miháliková, Ivana, et al.
Publicado: (2022)

Electronic structure of disordered alloys, surfaces and interfaces
por: Turek, Ilja, et al.
Publicado: (1997)

Interlayer Coupling Induced Sharp Increase of the Curie Temperature in a Two-Dimensional MnSn Multilayer
por: Feng, Panjun, et al.
Publicado: (2022)

Ab initio identified design principles of solid-solution strengthening in Al
por: Ma, Duancheng, et al.
Publicado: (2013)

Editorial for the Special Issue on Computational Quantum Physics and Chemistry of Nanomaterials
por: Šob, Mojmír
Publicado: (2020)

Assessment of Retained Austenite in Fine Grained Inductive Heat Treated Spring Steel
por: Olina, Anna, et al.
Publicado: (2019)

Optical, luminescence and scintillation characteristics of non-stoichiometric LuAG:Ce ceramics
por: Liu, Shuping, et al.
Publicado: (2016)

Density dependent attributes of fish aggregative behaviour
por: Holubová, Michaela, et al.
Publicado: (2019)

Composition and properties tailoring in $Mg^{2+}$ codoped non-stoichiometric LuAG:Ce,Mg scintillation ceramics
por: Liu, Shuping, et al.
Publicado: (2017)

Sexual Dimorphism in the Multielemental Stoichiometric Phenotypes and Stoichiometric Niches of Spiders
por: Sobczyk, Łukasz, et al.
Publicado: (2020)

Creep Resistance of S304H Austenitic Steel Processed by High-Pressure Sliding
por: Kral, Petr, et al.
Publicado: (2022)

Effect of reducing $Lu^{3+}$ content on the fabrication and scintillation properties of non-stoichiometric $Lu_{3}−_{x}Al_5O_{12}$:Ce ceramics
por: Liu, Shuping, et al.
Publicado: (2017)

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics
por: Klētnieks, Ēriks, et al.
Publicado: (2023)

Interpretation of dynamic tensile behavior by austenite stability in ferrite-austenite duplex lightweight steels
por: Park, Jaeyeong, et al.
Publicado: (2017)

Enumeration of minimal stoichiometric precursor sets in metabolic networks
por: Andrade, Ricardo, et al.
Publicado: (2016)

Steel forgings for pressure purposes - Part 5: martensitic, austenitic and austenitic-ferritic stainless steels
por: Association Française de Normalisation. Paris
Publicado: (2000)

Sensor Systems for Detecting Dough Properties Fortified with Grape Pomace and Mealworm Powders
por: Adamek, Martin, et al.
Publicado: (2020)

Phase equilibria in the ternary In–Ni–Sn system at 700 °C
por: Schmetterer, C., et al.
Publicado: (2013)

Off‐Stoichiometric Thiol‐Ene Chemistry to Dendritic Nanogel Therapeutics
por: Zhang, Yuning, et al.
Publicado: (2019)

Ammonia decomposition catalysis using non-stoichiometric lithium imide
por: Makepeace, Joshua W., et al.
Publicado: (2015)

The stoichiometric divisome: a hypothesis
por: Egan, Alexander J. F., et al.
Publicado: (2015)

Stoichiometric and Catalytic Synthesis of Alkynylphosphines
por: Bernoud, Elise, et al.
Publicado: (2012)

Stoichiometric and Nonstoichiometric Hydrates of Brucine
por: Braun, Doris E., et al.
Publicado: (2016)

Cannot write session to /tmp/vufind_sessions/sess_kjgeku4bgqugbq5pcakmh6duha