Search Results - "Zelený, Martin"

Impact of d-states on transition metal impurity diffusion in TiN by Nayak, Ganesh Kumar, Holec, David, Zelený, Martin

“…In this work, we studied the energetics of diffusion-related quantities of transition-metal impurities in TiN, a prototype ceramic protective coating. We use…”
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Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound by Zelený, Martin, Straka, Ladislav, Sozinov, Alexei, Heczko, Oleg

“…In order to explain the formation of low-temperature phases in stoichiometric Ni 2 MnGa magnetic shape memory alloy, we investigate the phase transformation…”
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Highly mobile twin boundaries in seven-layer modulated Ni–Mn–Ga–Fe martensite by Sozinov, Alexei, Musiienko, Denys, Saren, Andrey, Veřtát, Petr, Straka, Ladislav, Heczko, Oleg, Zelený, Martin, Chulist, Robert, Ullakko, Kari

“…We report on low twinning stress of 0.2 MPa for type 1 twin boundaries with rational (101) twinning plane and 0.1 MPa for type 2 twin boundaries with rational…”
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Publisher Correction: Localization versus delocalization of d-states within the Ni2MnGa Heusler alloy by Janovec, Jozef, Zelený, Martin, Heczko, Oleg, Ayuela, Andrés

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Localization versus delocalization of d-states within the $$\hbox {Ni}_{{2}}$$MnGa Heusler alloy by Janovec, Jozef, Zelený, Martin, Heczko, Oleg, Ayuela, Andrés

“…We present calculations based on density-functional theory with improved exchange-correlation approaches to investigate the electronic structure of $$\hbox…”
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Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review by Seiner, Hanuš, Zelený, Martin, Sedlák, Petr, Straka, Ladislav, Heczko, Oleg

“…This review summarizes recent advances in first‐principles simulations of the structural, mechanical, and magnetomechanical properties of Ni–Mn–Ga‐based…”
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Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments by Moravcik, Igor, Zelený, Martin, Dlouhy, Antonin, Hadraba, Hynek, Moravcikova-Gouvea, Larissa, Papež, Pavel, Fikar, Ondřej, Dlouhy, Ivo, Raabe, Dierk, Li, Zhiming

“…We investigated the effects of interstitial N and C on the stacking fault energy (SFE) of an equiatomic CoCrNi medium entropy alloy. Results of computer…”
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Effect of electron localization in theoretical design of Ni-Mn-Ga based magnetic shape memory alloys by Zelený, Martin, Sedlák, Petr, Heczko, Oleg, Seiner, Hanuš, Veřtát, Petr, Obata, Masao, Kotani, Takao, Oda, Tatsuki, Straka, Ladislav

“…[Display omitted] •Predicted ground state in Ni2MnGa depends on exchange-correlation energy approximation.•Only GGA+U approximation with U > 1.2 eV predicts…”
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On energetics of allotrope transformations in transition-metal diborides via plane-by-plane shearing by Leiner, Thomas, Koutná, Nikola, Janovec, Jozef, Zelený, Martin, Mayrhofer, Paul H., Holec, David

“…Transition metal diborides crystallize in the α, γ, or ω type structure, in which pure transition metal layers alternate with pure boron layers stacked along…”
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On mechanical twinning in tetragonal lattice by Zelený, Martin, Ostapovets, Andriy, Fridrich, Lucius, Šesták, Petr, Heczko, Martin, Kruml, Tomáš

“…The theory of mechanical twinning is revisited for the case of face-centred tetragonal lattices. The motivation is an imprecision in the determination of…”
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Magnetism of coherent Co and Ni thin films on Cu(111) and Au(111) substrates: An ab initio study by Zelený, Martin, Dlouhý, Ivo

“…We present an ab initio study of structural and magnetic properties of coherent Co and Ni thin films on Cu(111) and Au(111) substrates with thicknesses of up…”
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Orthorhombic intermediate phase originating from {110} nanotwinning in Ni50.0Mn28.7Ga21.3 modulated martensite by Straka, Ladislav, Drahokoupil, Jan, Veřtát, Petr, Kopeček, Jaromír, Zelený, Martin, Seiner, Hanuš, Heczko, Oleg

“…The temperature evolution of the structure of Ni50.0Mn28.7Ga21.3 single crystals exhibiting magnetic shape memory effect was investigated near the martensitic…”
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Shear Deformation of Non-modulated Ni2MnGa Martensite: An Ab Initio Study by Heczko, Martin, Šesták, Petr, Seiner, Hanuš, Zelený, Martin

“…The impact of shear deformation in $$(101)[10\overline{1}]$$ ( 101 ) [ 10 1 ¯ ] system of non-modulated (NM) martensite in Ni 2 MnGa ferromagnetic shape memory…”
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An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn by 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

“…We have performed a quantum-mechanical study of a series of stoichiometric Ni2MnSn structures focusing on pressure-induced changes in their magnetic…”
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The impact of disorder on the 4O-martensite of Ni–Mn–Sn Heusler alloy by Friák, Martin, Zelený, Martin, Mazalová, Martina, Miháliková, Ivana, Turek, Ilja, Kaštil, Jiří, Kamarád, Jiří, Míšek, Martin, Arnold, Zdeněk, Schneeweiss, Oldřich, Šob, Mojmír

“…We have performed a quantum-mechanical study of thermodynamic, elastic, magnetic and structural properties of four different ferrimagnetic states in…”
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Magnetic and Magneto-Optical Properties of Fe75−xMn25Gax Heusler-like Compounds by Král, Daniel, Beran, Lukáš, Zelený, Martin, Zemen, Jan, Antoš, Roman, Hamrle, Jaroslav, Zázvorka, Jakub, Rameš, Michal, Onderková, Kristýna, Heczko, Oleg, Veis, Martin

“…Fe75−xMn25Gax Heusler-like compounds were investigated in a wide range of Fe/Ga ratios while keeping the Mn content constant and equal 25 at% in order to…”
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First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloys by Janovec, Jozef, Straka, Ladislav, Sozinov, Alexei, Heczko, Oleg, Zelený, Martin

“…The effect of Zn doping on Ni-Mn-Ga magnetic shape memory alloy was studied by the first-principles calculations using exact muffin-tin orbital method in…”
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An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni₃Si by Friák, Martin, Zelený, Martin, Všianská, Monika, Holec, David, Šob, Mojmír

“…Using quantum-mechanical methods we calculate and analyze (tensorial) anisotropic elastic properties of the ground-state configurations of interface states…”
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Tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni3(Al,Si) by Friák, Martin, Všianská, Monika, Holec, David, Zelený, Martin, Šob, Mojmír

“…Grain boundaries (GBs) represent one of the most important types of defects in solids and their instability leads to catastrophic failures in materials. Grain…”
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The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni–Mn–Ga Martensite: An Ab Initio Study by Zelený, Martin, Heczko, Martin, Janovec, Jozef, Holec, David, Straka, Ladislav, Heczko, Oleg

“…The effect of excess Mn on the stability of modulation and elastic properties was investigated using ab initio electronic structure calculations in Ni–Mn–Ga…”
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