Real-space method for first-principles electron transport calculations: Self-energy terms of electrodes for large systems von Ono, Tomoya, Tsukamoto, Shigeru

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Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study von Tsukamoto, Shigeru, Caciuc, Vasile, Atodiresei, Nicolae, Blügel, Stefan

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Boron-Doped Graphene Nanoribbons: Electronic Structure and Raman Fingerprint von Senkovskiy, Boris V, Usachov, Dmitry Yu, Fedorov, Alexander V, Marangoni, Tomas, Haberer, Danny, Tresca, Cesare, Profeta, Gianni, Caciuc, Vasile, Tsukamoto, Shigeru, Atodiresei, Nicolae, Ehlen, Niels, Chen, Chaoyu, Avila, José, Asensio, Maria C, Varykhalov, Andrei Yu, Nefedov, Alexei, Wöll, Christof, Kim, Timur K, Hoesch, Moritz, Fischer, Felix R, Grüneis, Alexander

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Molecular Scale Control of Unbound and Bound C60 for Topochemical Ultradense Data Storage in an Ultrathin C60 Film von Nakaya, Masato, Tsukamoto, Shigeru, Kuwahara, Yuji, Aono, Masakazu, Nakayama, Tomonobu

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Electronic Structures of Quaterthiophene and Septithiophene on Cu(111): Spatial Distribution of Adsorption-Induced States Studied by STM and DFT Calculation von Kakudate, Toshiyuki, Tsukamoto, Shigeru, Kubo, Osamu, Nakaya, Masato, Nakayama, Tomonobu

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Chemical Wiring and Soldering toward All-Molecule Electronic Circuitry von Okawa, Yuji, Mandal, Swapan K, Hu, Chunping, Tateyama, Yoshitaka, Goedecker, Stefan, Tsukamoto, Shigeru, Hasegawa, Tsuyoshi, Gimzewski, James K, Aono, Masakazu

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Calculation of the Green's function in the scattering region for first-principles electron-transport simulations von Egami, Yoshiyuki, Tsukamoto, Shigeru, Ono, Tomoya

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Analysis and visualization of water flow impact on hydrogen production efficiency in solid polymer water electrolyzer under high-pressure condition von Ito, Kohei, Maeda, Yusuke, Sakaguchi, Takuya, Tsukamoto, Shigeru, Inada, Akiko, Tsuchiya, Yuta, Nakajima, Hironori

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First-principles calculation method for electron transport based on the grid Lippmann-Schwinger equation von Egami, Yoshiyuki, Iwase, Shigeru, Tsukamoto, Shigeru, Ono, Tomoya, Hirose, Kikuji

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Improvement of accuracy in the wave-function-matching method for transport calculations von Tsukamoto, Shigeru, Ono, Tomoya, Blügel, Stefan

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Efficient calculation of self-energy matrices for electron-transport simulations von Egami, Yoshiyuki, Tsukamoto, Shigeru, Ono, Tomoya

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Complex band structure calculations based on the overbridging boundary matching method without using Green's functions von Tsukamoto, Shigeru, Ono, Tomoya, Iwase, Shigeru, Blügel, Stefan

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Initial stage of adsorption of octithiophene molecules on Cu(111) von Kakudate, Toshiyuki, Tsukamoto, Shigeru, Nakaya, Masato, Nakayama, Tomonobu

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Atomic force microscopy and theoretical investigation of the lifted-up conformation of polydiacetylene on a graphite substrate von Okawa, Yuji, Takajo, Daisuke, Tsukamoto, Shigeru, Hasegawa, Tsuyoshi, Aono, Masakazu

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Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations von Iwase, Shigeru, Futamura, Yasunori, Imakura, Akira, Sakurai, Tetsuya, Tsukamoto, Shigeru, Ono, Tomoya

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Self-energy matrices for electron transport calculations within the real-space finite-difference formalism von Tsukamoto, Shigeru, Ono, Tomoya, Hirose, Kikuji, Blügel, Stefan

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One-dimensional surface reconstruction as an atomic-scale template for the growth of periodically striped Ag films von Uchihashi, Takashi, Ohbuchi, Chigusa, Tsukamoto, Shigeru, Nakayama, Tomonobu

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Local dimerization and dedimerization of C60 molecules under a tip of scanning tunneling microscope: A first-principles study von Tsukamoto, Shigeru, Nakaya, Masato, Caciuc, Vasile, Atodiresei, Nicolae, Nakayama, Tomonobu

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Mechanisms of electron transport through bellows-shaped fullerene tubes von Tsukamoto, Shigeru, Nakayama, Tomonobu

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Molecular Scale Control of Unbound and Bound C 60 for Topochemical Ultradense Data Storage in an Ultrathin C 60 Film von Nakaya, Masato, Tsukamoto, Shigeru, Kuwahara, Yuji, Aono, Masakazu, Nakayama, Tomonobu

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