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Your search keyword '"Themodynamic Stability"' showing total 4 results
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4 results on '"Themodynamic Stability"'

1. High‐Throughput Screening Assisted Discovery of a Stable Layered Anti‐Ferromagnetic Semiconductor: CdFeP2Se6.

Author

Kothakonda, Manish, Zhu, Yanglin, Guan, Yingdong, He, Jingyang, Kidd, Jamin, Zhang, Ruiqi, Ning, Jinliang, Gopalan, Venkatraman, Xie, Weiwei, Mao, Zhiqiang, and Sun, Jianwei

Subjects
*HIGH throughput screening (Drug development), *MAGNETIC materials, *SEMICONDUCTORS, *TRANSITION metals, *MAGNETIC properties, *ANTIFERROMAGNETIC materials, *CHALCOGENIDE glass
Abstract

Recent advances in 2D magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducting antiferromagnets exhibit intriguing low‐dimensional semiconducting behavior with both charge and spin as carrier controls. However, synthesis of these compounds is challenging and remains rare. Here, first‐principles based high‐throughput search is conducted to screen potentially stable mixed metal phosphorous trichalcogenides (MM′P2X6, where M and M′ are transition metals and X is a chalcogenide) that have a wide range of tunable bandgaps and interesting magnetic properties. Among the potential candidates, a stable semiconducting layered magnetic material, CdFeP2Se6, that exhibits a short‐range antiferromagnetic order at TN = 21 K with an indirect bandgap of 2.23 eV is successfully synthesized. This work suggests that high‐throughput screening assisted synthesis can be an effective method for layered magnetic materials discovery. [ABSTRACT FROM AUTHOR]

Published
2023
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2. High‐Throughput Screening Assisted Discovery of a Stable Layered Anti‐Ferromagnetic Semiconductor: CdFeP2Se6.

Author

Kothakonda, Manish, Zhu, Yanglin, Guan, Yingdong, He, Jingyang, Kidd, Jamin, Zhang, Ruiqi, Ning, Jinliang, Gopalan, Venkatraman, Xie, Weiwei, Mao, Zhiqiang, and Sun, Jianwei

Subjects
HIGH throughput screening (Drug development), MAGNETIC materials, SEMICONDUCTORS, TRANSITION metals, MAGNETIC properties, ANTIFERROMAGNETIC materials, CHALCOGENIDE glass
Abstract

Recent advances in 2D magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducting antiferromagnets exhibit intriguing low‐dimensional semiconducting behavior with both charge and spin as carrier controls. However, synthesis of these compounds is challenging and remains rare. Here, first‐principles based high‐throughput search is conducted to screen potentially stable mixed metal phosphorous trichalcogenides (MM′P2X6, where M and M′ are transition metals and X is a chalcogenide) that have a wide range of tunable bandgaps and interesting magnetic properties. Among the potential candidates, a stable semiconducting layered magnetic material, CdFeP2Se6, that exhibits a short‐range antiferromagnetic order at TN = 21 K with an indirect bandgap of 2.23 eV is successfully synthesized. This work suggests that high‐throughput screening assisted synthesis can be an effective method for layered magnetic materials discovery. [ABSTRACT FROM AUTHOR]

Published
2023
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3. Effort on Lithium Compatibility Study toward Happy Ending

Author

Kondo, Masatoshi, Valentyn, Tsisar, Terai, Takayuki, and Suzuki, Akihiro

Subjects
Fusion reactor, Fusion blanket, Themodynamic stability, Lihtium, Liquid breeder, Compatibility, Liquid metal, Coating technology
Published
2010

4. Stability field and structural properties of intra-rare earth perovskites

Author

Cristina Artini, R. Masini, Giorgio Costa, and Maria Maddalena Carnasciali

Subjects
Rare earth perovskites, Thermogravimetric analysis, Ionic radius, Chemistry, Mechanical Engineering, Thermal decomposition, Metals and Alloys, Analytical chemistry, Space group, Crystal structure, Atmospheric temperature range, Thermodynamic stability, Mixed oxides, Themodynamic Stability, Nuclear magnetic resonance, Mechanics of Materials, Materials Chemistry, Chemical stability, Orthorhombic crystal system
Abstract

A stability study of perovskitic LaREO3 oxides (RE = Dy, Ho, Er, Tm, Yb, Lu) as a function of temperature was undertaken. A correlation between the Goldschmidt t value and the perovskitic stability field amplitude was found: the latter widens as t increases. Magnetic measurements, performed on all the perovskitic samples, showed that t is also related to the exchange interactions. LaREO3 oxides were synthesized by thermal decomposition of the corresponding coprecipitated oxalates at temperatures ranging between 600 and 1800 °C. Simultaneous differential thermal and thermogravimetric analyses showed that all the La–RE mixed oxalates decompose similarly. All the oxides, except LaDyO3, crystallize in the perovskitic form in a temperature range that depends on the ionic size difference between La and the smaller rare earth; above and below the perovskitic stability field, the B or C form, typical of rare earth sesquioxides, is present. Rietveld refinements, carried out on all the LaREO3 samples synthesized at 1200 °C, showed the occurrence of an orthorhombic distorted perovskitic structure belonging to the Pnma space group.

Published
2010
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