Zobrazeno 1 - 10
of 137
pro vyhledávání: '"Opahle, Ingo"'
Autor:
Fortunato, Nuno M., Li, Xiaoqing, Schönecker, Stephan, Xie, Ruiwen, Taubel, Andreas, Scheibel, Franziska, Opahle, Ingo, Gutfleisch, Oliver, Zhang, Hongbin
Due to their versatile composition and customizable properties, A$_2$BC Heusler alloys have found applications in magnetic refrigeration, magnetic shape memory effects, permanent magnets, and spintronic devices. The discovery of all-$d$-metal Heusler
Externí odkaz:
http://arxiv.org/abs/2306.17092
Autor:
Tanzim, Md Farhan, Fortunato, Nuno, Samathrakis, Ilias, Xie, Ruiwen, Opahle, Ingo, Gutfleisch, Oliver, Zhang, Hongbin
All-$d$ Heuslers are a category of novel compounds combining versatile functionalities such as caloric responses and spintronics with enhanced mechanical properties. Despite the promising transport properties (anomalous Hall (AHC) and anomalous Nerns
Externí odkaz:
http://arxiv.org/abs/2303.02351
Autor:
Singh, Harish K., Sehrawat, Amit, Shen, Chen, Samathrakis, Ilias, Opahle, Ingo, Zhang, Hongbin, Xie, Ruiwen
Half-antiperovskites (HAPs) are a class of materials consisting of stacked kagome lattices and thus host exotic magnetic and electronic states. We perform high-throughput calculations based on density functional theory (DFT) and atomistic spin dynami
Externí odkaz:
http://arxiv.org/abs/2207.03365
Autor:
Shen, Chen, Gao, Qiang, Fortunato, Nuno M., Singh, Harish K., Opahle, Ingo, Gutfleisch, Oliver, Zhang, Hongbin
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magnet and magnetocaloric applications. The thermodynamical, mechanical, an
Externí odkaz:
http://arxiv.org/abs/2009.14543
Autor:
Long, Teng, Fortunato, Nuno M., Opahle, Ingo, Zhang, Yixuan, Samathrakis, Ilias, Shen, Chen, Gutfleisch, Oliver, Zhang, Hongbin
Publikováno v:
npj Comput Mater 7, 66 (2021)
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and forward mode
Externí odkaz:
http://arxiv.org/abs/2007.11228
Publikováno v:
Phys. Rev. Research 2, 023134 (2020)
High-throughput density functional calculations are used to investigate the effect of interstitial B, C and N atoms on 21 alloys reported to crystallize in the cubic Cu$_3$Au structure. It is shown that the interstitials can have a significant impact
Externí odkaz:
http://arxiv.org/abs/2001.00959
Based on high-throughput density functional theory calculations, we investigated the effects of light interstitial H, B, C, and N atoms on the magnetic properties of cubic Heusler alloys, with the aim to design new rare-earth free permanent magnets.
Externí odkaz:
http://arxiv.org/abs/1909.03275
Autor:
Singh, Harish K., Sehrawat, Amit, Shen, Chen, Samathrakis, Ilias, Opahle, Ingo, Zhang, Hongbin, Xie, Ruiwen
Publikováno v:
In Acta Materialia 1 January 2023 242
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Publikováno v:
Phys. Rev. Materials 3, 024410 (2019)
Based on high throughput density functional theory calculations, we performed systematic screening for spin-gapless semiconductors (SGSs) in quaternary Heusler alloys XX 0 YZ (X, X 0 , and Y are transition metal elements without Tc, and Z is one of B
Externí odkaz:
http://arxiv.org/abs/1808.02684