First-principles investigation of chemical and structural disorder in magnetic Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>Mn<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mrow><mml:mn>1</mml:mn><mml:mo>+</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:math>Sn<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><

Sokolovskiy, V. V.; Buchelnikov, V. D.; Загребин, М. А.; Entel, P.; Sahoo, Sanjubala; Ogura, M.

doi:10.1103/physrevb.86.134418

Cited by 114 publications

(28 citation statements)

References 42 publications

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“…However, we would like to point out that in full-Heusler alloys [87], the short-range interactions have a minimal influence on the electronic structure; therefore, the CPA works well. In general, our results for the stoichiometric and cases of Ni 2 Mn 1+x (Ga, In, Sn, Sb) 1−x (see [55,56,58,59,62]) agree well with those obtained by the frozen-magnon approach to Ni 2 MnZ (Z = Ga, In, Sn, Sb) [76,78], apart from small differences.…”

Section: Results Of Ab Initio Calculationssupporting

confidence: 77%

Ab Initio and Monte Carlo Approaches For the Magnetocaloric Effect in Co- and In-Doped Ni-Mn-Ga Heusler Alloys

Sokolovskiy

Grünebohm

Buchelnikov

et al. 2014

Entropy

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Abstract:The complex magnetic and structural properties of Co-doped Ni-Mn-Ga Heusler alloys have been investigated by using a combination of first-principles calculations and classical Monte Carlo simulations. We have restricted the investigations to systems with 0, 5 and 9 at% Co. Ab initio calculations show the presence of the ferrimagnetic order of austenite and martensite depending on the composition, where the excess Mn atoms on Ga sites show reversed spin configurations. Stable ferrimagnetic martensite is found for systems with 0 (5) at% Co and a c/a ratio of 1.31 (1.28), respectively, leading to a strong competition of ferro-and antiferro-magnetic exchange interactions between nearest neighbor Mn atoms. The Monte Carlo simulations with ab initio exchange coupling constants as input parameters allow one to discuss the behavior at finite temperatures and to determine magnetic transition temperatures. The Curie temperature of austenite is found to increase with Co, while the Curie temperature of martensite decreases with increasing Co content. This behavior can be attributed to the stronger Co-Mn, Mn-Mn and Mn-Ni exchange coupling constants in austenite compared to the corresponding ones in martensite. The crossover from a direct to inverse magnetocaloric effect in Ni-Mn-Ga due to the substitution of Ni by Co leads to the appearance of a "paramagnetic gap" in the martensitic phase. Doping with In increases the magnetic jump at the martensitic transition temperature. The simulated magnetic and magnetocaloric properties of Co-and In-doped Ni-Mn-Ga alloys are in good qualitative agreement with the available experimental data.

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Section: Results Of Ab Initio Calculationssupporting

confidence: 77%

Ab Initio and Monte Carlo Approaches For the Magnetocaloric Effect in Co- and In-Doped Ni-Mn-Ga Heusler Alloys

Sokolovskiy

Grünebohm

Buchelnikov

et al. 2014

Entropy

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“…The cubic lattice constant amounts to a = 5.98Å. Both, the c/a ratio and the a have been taken from supercell calculations for Ni 8 Mn 5 Sn 3 and Ni 8 Mn 6 Sn 2 and are comparable to the results of Sokolovskiy et al within the local density approximation [13]. The scattering path operator was used to determine the XAS and XMCD spectra at the Ni and Mn L 2,3 edges in the martensite and the austenite phase [11].…”

Section: Theoretical Detailsmentioning

confidence: 96%

Element-specific electronic structure and magnetic properties of an epitaxialNi51.6Mn32.9Sn15.5thin film at the austenite-martensite transition

et al. 2015

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An austenite-martensite transition was observed in a 100-nm-thick Ni 51.6 Mn 32.9 Sn 15.5 film by temperaturedependent resistivity and magnetization measurements, revealing a martensite starting temperature of M S ≈ 260 K. The influence of the structural phase transition on the electronic structure and the magnetic properties was studied element specifically employing temperature-dependent x-ray-absorption spectroscopy and x-ray magnetic circular dichroism. In addition, density functional theory calculations have been performed to study the electronic and magnetic properties of both phases. It is shown that off-stoichiometric Ni-Mn-Sn alloys can exhibit a substantial magnetocrystalline anisotropy energy in the martensite phase. For Mn a change of the electronic structure and a strong increase of the ratio of orbital to spin magnetic moment m l /m S can be observed, whereas for Ni nearly no changes occur. Applying an external magnetic field of B = 3 T reverses the change of the electronic structure of Mn and reduces the ratio of m l /m S from 13.5 to ≈1 % indicating a field-induced reverse martensitic transition.

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“…The blocking of the martensitic phase is observed at 14 T magnetic field. The and Mn2 is enhanced in the martensitic phase 42 . Thus the magnetic ground state in the martensitic phase has both ferromagnetic (Mn1-Mn1) and antiferromagnetic (Mn1-Mn2) spin alignment.…”

Section: Magnetic Behaviourmentioning

confidence: 99%

Properties of Magnetic Shape Memory Alloys in Martensitic Phase

Maji¹

2017

Current Science

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The Heusler alloys that exhibit reversible martensitic transition show multifunctional properties including magnetic shape memory effect. The properties of two kinds of magnetic shape memory alloys are studied, where magnetic field-induced strain is driven by two different mechanisms. The properties differ in martensitic phase with composition and thus they are studied in martensitic phase. The crystal structure (Xray diffraction), magnetic behaviour (SQUID), transport analysis (four-probe method), magneto-transport trend (up to 8 T), magnetocaloric effect (around room-temperature), electronic structure (X-ray photoelectron spectroscopy and ab initio calculation), surface characterization (ultraviolet photoelectron spectroscopy and inverse photoelectron spectroscopy) are discussed for the matensitic phase. Analysis of the properties reveals alloys with possible applicability at room temperature with low magnetic field.

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First-principles investigation of chemical and structural disorder in magnetic Ni2Mn1+xSn<

Cited by 114 publications

References 42 publications

Ab Initio and Monte Carlo Approaches For the Magnetocaloric Effect in Co- and In-Doped Ni-Mn-Ga Heusler Alloys

Ab Initio and Monte Carlo Approaches For the Magnetocaloric Effect in Co- and In-Doped Ni-Mn-Ga Heusler Alloys

Element-specific electronic structure and magnetic properties of an epitaxialNi51.6Mn32.9Sn15.5thin film at the austenite-martensite transition

Properties of Magnetic Shape Memory Alloys in Martensitic Phase

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