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Journal Articles

Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides

Yukinori Koyama, Atsuto Seko, Isao Tanaka, Shiro Funahashi, Naoto Hirosaki

J. Chem. Phys. 154, 224117 (2021)

https://doi.org/10.1063/5.0049981

Published: June 2021

View articletitled, Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides

Includes: Supplementary data

Journal Articles

Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram

Kohei Shinohara, Atsuto Seko, Takashi Horiyama, Masakazu Ishihata, Junya Honda, Isao Tanaka

J. Chem. Phys. 153, 104109 (2020)

https://doi.org/10.1063/5.0021663

Published: September 2020

View articletitled, Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram

Journal Articles

Pressure-induced insulator to metal transition of mixed valence compound Ce(O,F)SbS₂

Ryo Matsumoto, Masanori Nagao, Masayuki Ochi, Hiromi Tanaka, Hiroshi Hara, Shintaro Adachi, Kazuki Nakamura, Ryo Murakami, Sayaka Yamamoto, Tetsuo Irifune, Hiroyuki Takeya, Isao Tanaka, Kazuhiko Kuroki, Yoshihiko Takano

J. Appl. Phys. 125, 075102 (2019)

https://doi.org/10.1063/1.5079765

Published: February 2019

View articletitled, Pressure-induced insulator to metal transition of mixed valence compound Ce(O,F)SbS2

Includes: Supplementary data

Journal Articles

Solution effect on improved structural compatibility of NiTi-based alloys by systematic first-principles calculations

Joohwi Lee, Yuji Ikeda, Isao Tanaka

J. Appl. Phys. 125, 055106 (2019)

https://doi.org/10.1063/1.5051630

Published: February 2019

View articletitled, Solution effect on improved structural compatibility of NiTi-based alloys by systematic first-principles calculations

Includes: Supplementary data

Journal Articles

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

Akira Takahashi, Atsuto Seko, Isao Tanaka

J. Chem. Phys. 148, 234106 (2018)

https://doi.org/10.1063/1.5027283

Published: June 2018

View articletitled, Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

Journal Articles

Compositional descriptor-based recommender system for the materials discovery

Atsuto Seko, Hiroyuki Hayashi, Isao Tanaka

J. Chem. Phys. 148, 241719 (2018)

https://doi.org/10.1063/1.5016210

Published: March 2018

View articletitled, Compositional descriptor-based recommender system for the materials discovery

Includes: Supplementary data

Journal Articles

Thermoelectric phase diagram of the SrTiO₃–SrNbO₃ solid solution system

Yuqiao Zhang, Bin Feng, Hiroyuki Hayashi, Tetsuya Tohei, Isao Tanaka, Yuichi Ikuhara, Hiromichi Ohta

J. Appl. Phys. 121, 185102 (2017)

https://doi.org/10.1063/1.4983359

Published: May 2017

View articletitled, Thermoelectric phase diagram of the SrTiO3–SrNbO3 solid solution system

Journal Articles

First-principles calculations of high-pressure phase transition of TiO₂ during decompression: From baddeleyite-type TiO₂ to α-PbO₂-type TiO₂

Hidenobu Murata, Takashi Taniguchi, Isao Tanaka

J. Appl. Phys. 120, 142108 (2016)

https://doi.org/10.1063/1.4961714

Published: August 2016

View articletitled, First-principles calculations of high-pressure phase transition of TiO2 during decompression: From baddeleyite-type TiO2 to α-PbO2-type TiO2

Includes: Supplementary data

Journal Articles

Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors

Taizo Shibuya, Jonathan M. Skelton, Adam J. Jackson, Kenji Yasuoka, Atsushi Togo, Isao Tanaka, Aron Walsh

APL Mater. 4, 104809 (2016)

https://doi.org/10.1063/1.4955401

Published: July 2016

View articletitled, Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors

Journal Articles

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

Jonathan M. Skelton, Davide Tiana, Stephen C. Parker, Atsushi Togo, Isao Tanaka, Aron Walsh

J. Chem. Phys. 143, 064710 (2015)

https://doi.org/10.1063/1.4928058

Published: August 2015

View articletitled, Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

Includes: Supplementary data

Journal Articles

First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides

Ankita Katre, Atsushi Togo, Isao Tanaka, Georg K. H. Madsen

J. Appl. Phys. 117, 045102 (2015)

https://doi.org/10.1063/1.4906461

Published: January 2015

View articletitled, First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides

Journal Articles

Mn L_2,3-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li₂MnO₃

Kei Kubobuchi, Masato Mogi, Hidekazu Ikeno, Isao Tanaka, Hideto Imai, Teruyasu Mizoguchi

Appl. Phys. Lett. 104, 053906 (2014)

https://doi.org/10.1063/1.4864167

Published: February 2014

View articletitled, Mn L2,3-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li2MnO3

Journal Articles

Local environment of silicon in cubic boron nitride

Hidenobu Murata, Takashi Taniguchi, Shunichi Hishita, Tomoyuki Yamamoto, Fumiyasu Oba, Isao Tanaka

J. Appl. Phys. 114, 233502 (2013)

https://doi.org/10.1063/1.4849015

Published: December 2013

View articletitled, Local environment of silicon in cubic boron nitride

Journal Articles

Effect of local coordination of Mn on Mn-L_2,3 edge electron energy loss spectrum

Shuji Nishida, Shunsuke Kobayashi, Akihito Kumamoto, Hidekazu Ikeno, Teruyasu Mizoguchi, Isao Tanaka, Yuichi Ikuhara, Takahisa Yamamoto

J. Appl. Phys. 114, 054906 (2013)

https://doi.org/10.1063/1.4817425

Published: August 2013

View articletitled, Effect of local coordination of Mn on Mn-L2,3 edge electron energy loss spectrum

Journal Articles

First-principles study of valence band offsets at ZnSnP₂/CdS, ZnSnP₂/ZnS, and related chalcopyrite/zincblende heterointerfaces

Yoyo Hinuma, Fumiyasu Oba, Yoshitaro Nose, Isao Tanaka

J. Appl. Phys. 114, 043718 (2013)

https://doi.org/10.1063/1.4816784

Published: July 2013

View articletitled, First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces

Journal Articles

Site preference of cation vacancies in Mn-doped Ga₂O₃ with defective spinel structure

Hiroyuki Hayashi, Rong Huang, Fumiyasu Oba, Tsukasa Hirayama, Isao Tanaka

Appl. Phys. Lett. 101, 241906 (2012)

https://doi.org/10.1063/1.4770363

Published: December 2012

View articletitled, Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure

Journal Articles

Atomic and electronic structures of the SrVO₃-LaAlO₃ interface

Miaofang Chi, Teruyasu Mizoguchi, Lane W. Martin, John P. Bradley, Hidekazu Ikeno, Ramamoorthy Ramesh, Isao Tanaka, Nigel Browning

J. Appl. Phys. 110, 046104 (2011)

https://doi.org/10.1063/1.3601870

Published: August 2011

View articletitled, Atomic and electronic structures of the SrVO3-LaAlO3 interface

Includes: Supplementary data

Journal Articles

Electronic and structural properties of the oxygen vacancy in BaTiO 3

Minseok Choi, Fumiyasu Oba, Isao Tanaka

Appl. Phys. Lett. 98, 172901 (2011)

https://doi.org/10.1063/1.3583460

Published: April 2011

View articletitled, Electronic and structural properties of the oxygen vacancy in BaTiO 3

Journal Articles

Fabrication of submicron La 2 − x Sr x CuO 4 intrinsic Josephson junction stacks

Yuimaru Kubo (久保結丸), Yamaguchi Takahide (山口尚秀), Takayoshi Tanaka (田中孝尚), Shinya Ueda (上田真也), Satoshi Ishii (石井聡), Shunsuke Tsuda (津田俊輔), ATM Nazmul Islam, Isao Tanaka (田中功), Yoshihiko Takano (高野義彦)

J. Appl. Phys. 109, 033912 (2011)

https://doi.org/10.1063/1.3544037

Published: February 2011

View articletitled, Fabrication of submicron La 2 − x Sr x CuO 4 intrinsic Josephson junction stacks

Journal Articles

Fully Automated Data Collection Using PAM and the Development of PAM/SPACE Reversible Cassettes

Masahiko Hiraki, Shokei Watanabe, Leonard M. G. Chavas, Yusuke Yamada, Naohiro Matsugaki, Noriyuki Igarashi, Soichi Wakatsuki, Masahiro Fujihashi, Kunio Miki, Seiki Baba, Go Ueno, Masaki Yamamoto, Mamoru Suzuki, Atsushi Nakagawa, Nobuhisa Watanabe, Isao Tanaka

AIP Conf. Proc. 1234, 673–676 (2010)

https://doi.org/10.1063/1.3463297

Published: June 2010

View articletitled, Fully Automated Data Collection Using PAM and the Development of PAM/SPACE Reversible Cassettes

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Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides

Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram

Pressure-induced insulator to metal transition of mixed valence compound Ce(O,F)SbS₂

Solution effect on improved structural compatibility of NiTi-based alloys by systematic first-principles calculations

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

Compositional descriptor-based recommender system for the materials discovery

Thermoelectric phase diagram of the SrTiO₃–SrNbO₃ solid solution system

First-principles calculations of high-pressure phase transition of TiO₂ during decompression: From baddeleyite-type TiO₂ to α-PbO₂-type TiO₂

Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides

Mn L_2,3-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li₂MnO₃

Local environment of silicon in cubic boron nitride

Effect of local coordination of Mn on Mn-L_2,3 edge electron energy loss spectrum

First-principles study of valence band offsets at ZnSnP₂/CdS, ZnSnP₂/ZnS, and related chalcopyrite/zincblende heterointerfaces

Site preference of cation vacancies in Mn-doped Ga₂O₃ with defective spinel structure

Atomic and electronic structures of the SrVO₃-LaAlO₃ interface

Electronic and structural properties of the oxygen vacancy in BaTiO 3

Fabrication of submicron La 2 − x Sr x CuO 4 intrinsic Josephson junction stacks

Fully Automated Data Collection Using PAM and the Development of PAM/SPACE Reversible Cassettes

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