Chapter 2 Thermal expansion anomalies and spontaneous magnetostriction in rare-earth intermetallics with cobalt and iron

Andreev, A.V.

doi:10.1016/s1567-2719(05)80031-9

Cited by 36 publications

(22 citation statements)

References 177 publications

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“…The optimized lattice constants are a = 4.907 Å and c = 3.942 Å, which agree reasonably well with the experimental values at 5 K (a = 4.936 Å, c = 3.984 Å, Ref. [20]) and at room…”

Section: Resultssupporting

confidence: 85%

“…), using the measured temperature-dependent lattice constants of YCo 5 from Ref. [20]. Since the change in the lattice constant c is negligible, we only change the in-plane lattice constant a as a(T ) = kT + a 0 , where a 0 is the lattice constant optimized by DFT at T = 0 K, and k ∼ 7 × 10 −5 Å K −1 is the proportionality constant estimated from the experimental temperature dependence of the a value [20].…”

Section: B Lattice Dynamics Contribution To Mca Energy At Finite Temp...mentioning

confidence: 99%

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Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo$_5$ from first principles

Xing,

Miura,

Tadano

2021

Preprint

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We study the lattice dynamics effects on the phase stability and magnetocrystalline anisotropy (MCA) energy of CaCu5-type YCo5 at finite temperatures using first-principles calculations based on density functional theory (DFT). Harmonic lattice dynamics (HLD) calculations indicate that YCo5 with 56 full valance electrons is dynamically unstable and this instability can be cured by reducing the number of electrons (Ne). Crystal orbital Hamilton population analysis reveals that the observed phonon instability originates from the large population of antibonding states near the Fermi level, which is dominated by the Co atoms in the honeycomb layer. The antibonding state depopulates with decreasing Ne, resulting in stable phonons for hole-doped YCo5 with Ne ≤ 55. We then evaluate the temperature-dependent MCA energy using both HLD and ab initio molecular dynamics (AIMD) methods. For the pristine YCo5, we observe a very weak temperature decay of the MCA energy, indicating little effect of lattice dynamics. Also, the MCA energies evaluated with AIMD at all target temperatures are larger than that of the static hexagonal lattice at 0 K, which is mainly attributed to the structural distortion driven by soft phonon modes. In the hole-doped YCo5, where the distortion is suppressed, a considerable temperature decay in MCA energy is obtained both in HLD and AIMD methods, showing that lattice dynamics effects on MCA energy are non-negligible.

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“…The optimized lattice constants are a = 4.907 Å and c = 3.942 Å, which agree reasonably well with the experimental values at 5 K (a = 4.936 Å, c = 3.984 Å, Ref. [20]) and at room…”

Section: Resultssupporting

confidence: 85%

Section: B Lattice Dynamics Contribution To Mca Energy At Finite Temp...mentioning

confidence: 99%

Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo$_5$ from first principles

Xing,

Miura,

Tadano

2021

Preprint

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“…For instance, Terfenol-D (Tb

) is a widely used magnetostrictive material thanks to its giant magnetostriction along the [111] crystallographic direction (

) under moderate magnetic fields (<160 kA/m) at room-temperature [ 11 ]. Beyond cubic systems, the research into magnetostrictive materials has been focused on hexagonal crystals like RCo

(space group 191), hexagonal and trigonal R

and R

series, and tetragonal R

B [ 9 , 22 ]. More recently, the problem of R availability [ 23 ] has also motivated the exploration of R-free magnetostrictive materials like Galfenol (Fe-Ga), spinel ferrites (CoFe

), Nitinol (Ni-Ti alloys), Fe-based Invars, and Ni 2 MnGa [ 1 , 24 , 25 ].…”

Section: Overview Of Magnetostrictionmentioning

confidence: 99%

MAELASviewer: An Online Tool to Visualize Magnetostriction

Nieves

Arapan

Kądzielawa

et al. 2020

Sensors

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The design of new materials for technological applications is increasingly being assisted by online computational tools that facilitate the study of their properties. In this work, based on modern web application frameworks, the online app MAELASviewer has been developed to visualize and analyze magnetostriction via a user-friendly interactive graphical interface. The features and technical details of this new tool are described in detail. Among other applications, it could potentially be used for the design of magnetostrictive materials for sensors and actuators.

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“…Видно, что в области низких температур (при T ≈ 100 K) наблюдается аномалия на кривых l/l(T ). В отсутствие спин-переориентационного фазового перехода в этой области температур, можно предположить, что аномалия в данном трехподрешеточном магнетике связана с различным температурным поведением намагниченности отдельных подрешеток (подрешетки Fe, Tb и Sm) [25]. Данное предположение находит косвенное подтверждение при анализе температурных зависимостей магнитострикции, измеренных в различных магнитных полях до 12 kOe.…”

Section: получение образцов и методика экспериментаunclassified

Структурные, магнитные и тепловые свойства соединения Tb-=SUB=-0.8-=/SUB=-Sm-=SUB=-0.2-=/SUB=-Fe-=SUB=-2-=/SUB=- cо структурой фаз Лавеса

Aleroeva¹,

Терешина²,

Каминская³

et al. 2019

Физика Твердого Тела

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A comprehensive study of the structure, phase composition, features of the surface topology, the magnetostrictive and thermal properties of the Tb0.8Sm0.2Fe2 compound are performed. The structural features were established at micro- and nanoscale levels, and information on the magnetic domains structure at room temperature was obtained. The results of x-ray diffraction studies in a wide temperature range of 90–760 K, including Curie temperature, are represented. Experimental data on thermal expansion and magnetostriction in magnetic fields up to 12 kOe were obtained and analyzed. Anomalies were found in the thermal expansion curves dl/l (T) and magnetostriction λ (T) at low temperatures. It is established that in compound under study the value of the magnetostrictive effect remains almost unchanged in a wide temperature range 100–300 K in fields up to 3.5 kOe.

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Chapter 2 Thermal expansion anomalies and spontaneous magnetostriction in rare-earth intermetallics with cobalt and iron

Cited by 36 publications

References 177 publications

Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo$_5$ from first principles

Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo$_5$ from first principles

MAELASviewer: An Online Tool to Visualize Magnetostriction

Структурные, магнитные и тепловые свойства соединения Tb-=SUB=-0.8-=/SUB=-Sm-=SUB=-0.2-=/SUB=-Fe-=SUB=-2-=/SUB=- cо структурой фаз Лавеса

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