Combinatorial Experimentation and Materials Informatics

Takeuchi, Ichiro; Lippmaa, Mikk; Matsumoto, Yuji

doi:10.1557/mrs2006.228

Cited by 22 publications

(14 citation statements)

References 13 publications

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“…Details of the deposition schemes for composition spread and thickness gradient thin film samples can be found elsewhere. 46,47 Prior to the IR imaging, all samples were transferred in ambient atmosphere from the deposition chamber to the reaction chamber. After loading the samples, the reaction chamber was Ar purged twice and pumped down to 1 ϫ 10 −6 bar by the cryopumps.…”

Section: Demonstrationmentioning

confidence: 99%

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

Oguchi

Hattrick‐Simpers

Takeuchi

et al. 2009

Review of Scientific Instruments

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Positron depth profiling of the structural and electronic structure transformations of hydrogenated Mg-based thin films J. Appl. Phys. 105, 043514 (2009) We have developed an infrared imaging setup enabling in situ infrared images to be acquired, and expanded on capabilities of an infrared imaging as a high-throughput screening technique, determination of a critical thickness of a Pd capping layer which significantly blocks infrared emission from below, enhancement of sensitivity to hydrogenation and dehydrogenation by normalizing raw infrared intensity of a Mg thin film to an inert reference, rapid and systematic screening of hydrogenation and dehydrogenation properties of a Mg-Ni composition spread covered by a thickness gradient Pd capping layer, and detection of formation of a Mg 2 Si phase in a Mg thin film on a thermally oxidized Si substrate during annealing.

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Section: Demonstrationmentioning

confidence: 99%

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

Oguchi

Hattrick‐Simpers

Takeuchi

et al. 2009

Review of Scientific Instruments

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“…There has been an attempt to solve this problem and this approach is called "materials informatics." 160 However, this combinatorial technology has already found fruitful chances for business. There are major companies that are still start-ups or mergers and acquisitions, for instance, "HTE"…”

Section: Conclusion and Future Prospectsmentioning

confidence: 99%

Exploration of Electronic Functionalities in Metal Oxides by Combinatorial Lattice Engineering

Kawasaki

2013

Bulletin of the Chemical Society of Japan

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A review is given for our originally-developed thin film technology, "combinatorial lattice engineering." This is extended from a conventional pulsed laser deposition, where the surface of a sintered oxide tablet (target) is irradiated with focused laser pulses and the evaporated precursors are condensed on a heated substrate to grow single crystalline thin films. By this method, it has become possible to concurrently synthesize many oxide thin films on a substrate at different locations (segments) with such diversities as composition, growth conditions, and the sequence of heterostructures. By inserting a masking system between the target and substrate and computer controlling the mask motion as well as target switching, one can integrate many oxide thin film segments on the substrate. Starting from the background of and demand for this technology as well as the advancement of the key ingredient technology, i.e., atomically regulated epitaxial growth of oxide thin films, the concept and examples of this combinatorial lattice engineering are introduced highlighting the representative demonstration on magnetic, photonic, and electronic functionalities, especially emphasizing the benefit of this combinatorial technology. In addition, further progress of device physics triggered by the combinatorial discoveries are introduced, for example, electric field control of magnetism, bright ultraviolet light emitting devices, and quantum effects in oxide semiconductors.

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“…Recent progress in high-throughput experiments (HTEs) has enabled rapid mapping of compositionstructure-property relationships across a large compositional phase space [1][2][3][4] and has helped accelerate materials development. For example, Takeuchi et al discovered new ferromagnetic materials using only two processes, combinatorial sputtering and scanning SQUID (superconducting quantum interference device) microscopy [5].…”

Section: Introductionmentioning

confidence: 99%

Predicting material properties by integrating high-throughput experiments, high-throughput ab-initio calculations, and machine learning

Iwasaki

Ishida

Shirane

2020

Science and Technology of Advanced Materials

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High-throughput experiments (HTEs) have been powerful tools to obtain many materials data. However, HTEs often require expensive equipment. Although high-throughput ab-initio calculation (HTC) has the potential to make materials big data easier to collect, HTC does not represent the actual materials data obtained by HTEs in many cases. Here we propose using a combination of simple HTEs, HTC, and machine learning to predict material properties. We demonstrate that our method enables accurate and rapid prediction of the Kerr rotation mapping of an Fe x Co y Ni 1-x-y composition spread alloy. Our method has the potential to quickly predict the properties of many materials without a difficult and expensive HTE and thereby accelerate materials development.

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Combinatorial Experimentation and Materials Informatics

Cited by 22 publications

References 13 publications

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

Exploration of Electronic Functionalities in Metal Oxides by Combinatorial Lattice Engineering

Predicting material properties by integrating high-throughput experiments, high-throughput ab-initio calculations, and machine learning

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