Computational Discovery and Design of Novel Materials IX

Presentations

• Abstract Withdrawn

  ORAL · Withdrawn

  March 16, 2017, 8:00 AM – March 16, 2017, 8:12 AM

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• Transport properties of two-dimensional metal-phthalocyanine junctions: An ab initio study

  ORAL

  March 16, 2017, 8:12 AM – March 16, 2017, 8:24 AM

  Authors

  • Shuang-Long Liu

    • University of Florida

  • Yun-Peng Wang

    • Univ of Florida - Gainesville
    • University of Florida

  • Xiang-Guo Li

    • Univ of Florida - Gainesville
    • University of Florida

  • Hai-Ping Cheng

    • Univ of Florida - Gainesville
    • University of Florida

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• Quantum anomalous Hall effect in ferromagnetic Ru iodide monolayer.

  ORAL

  March 16, 2017, 8:24 AM – March 16, 2017, 8:36 AM

  Authors

  • Jian Zhou

    • Virginia Commonwealth University
    • Virginia Commonwealth Univ

  • Chengxi Huang

    • Nanjing University of Science and Technology

  • Erjun Kan

    • Nanjing University of Science and Technology

  • Puru Jena

    • Virginia Commonwealth University

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• Stability and magnetism in FeC$_{\mathrm{2}}$ monolayer

  ORAL

  March 16, 2017, 8:36 AM – March 16, 2017, 8:48 AM

  Authors

  • Tianshan Zhao

    • Peking University

  • Jian Zhou

    • Department of Physics, Virginia Commonwealth University

  • Qian Wang

    • Center for Applied Physics and Technology, Peking University

  • Yoshiyuki Kawazoe

    • New Industry Creation Hatchery Center, Tohoku University

  • Puru Jena

    • Department of Physics, Virginia Commonwealth University

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• Computational design of a novel two dimensional InP nanostructure

  ORAL

  March 16, 2017, 8:48 AM – March 16, 2017, 9:00 AM

  Authors

  • Congyan Zhang

    • Univ of Louisville

  • Ming Yu

    • Univ of Louisville

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• Monolayer II-VI semiconductors: A first-principles prediction

  ORAL

  March 16, 2017, 9:00 AM – March 16, 2017, 9:12 AM

  Authors

  • Hui Zheng

    • Department of NanoEngineering, University of California San Diego

  • Nian-Ke Chen

    • College of Electronic Science and Engineering, Jilin University, China

  • S.B. Zhang

    • Department of Physics, Applied Physics, & Astronomy, Rensselaer Polytechnic Institute, USA
    • Rensselaer Polytechnic Institute

  • Xian-Bin Li

    • State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, China

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• First-principles Prediction of Thermodynamically Stable Two-Dimensional Electrides

  ORAL

  March 16, 2017, 9:12 AM – March 16, 2017, 9:24 AM

  Authors

  • Mina Yoon

    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

  • Wenmei Ming

    • Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

  • Mao-Hua Du

    • Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

  • Kimoon Lee

    • Kunsan National University, 558 Daehak-ro, Gunsan, Jeonbuk 573-701, South Korea

  • Sung Wng Kim

    • Sungkyunkwan University, 300 Cheoncheon-dong, Jangan-gu, Suwon, Gyeonggi-do 440-746, South Korea

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• Discovery of novel functional 2D materials via a 2D materials database

  ORAL

  March 16, 2017, 9:24 AM – March 16, 2017, 9:36 AM

  Authors

  • Jinbo Pan

    • Temple Univ

  • Haowei Peng

    • Temple Univ

  • Jie Yu

    • Temple Univ

  • John Perdew

    • Temple Univ

  • Qimin Yan

    • Temple Univ

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• Biexcitons in a transition metal dichalcogenide monolayer

  ORAL

  March 16, 2017, 9:36 AM – March 16, 2017, 9:48 AM

  Authors

  • Shalva Tsiklauri

    • The City University of New York-BMCC

  • Roman Kezerashvili

    • The City University of New York-City Tech

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• Electronic and thermodynamic properties of layered \textbf{\textit{Hf}}$_{\mathbf{2}}$\textbf{\textit{S}}\textbf{ from first-principles calculations}

  ORAL

  March 16, 2017, 9:48 AM – March 16, 2017, 10:00 AM

  Authors

  • Chandani Nandadasa

    • Mississippi State University; Oak Ridge National Laboratory

  • Mina Yoon

    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

  • Seong-Gon Kim

    • Mississippi State University

  • Steve Erwin

    • Naval Research Laboratory

  • Sungho Kim

    • Sungkyunkwan University

  • Sung Wng Kim

    • Sungkyunkwan University

  • Kimoon Lee

    • Kunsan National University

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• Revealing Quasi-Two-Dimensional Metallicity in a Layered Chalcogenide Ti$_{\mathrm{2}}$PTe$_{\mathrm{2}}$

  ORAL

  March 16, 2017, 10:00 AM – March 16, 2017, 10:12 AM

  Authors

  • Ji Seop Oh

    • IBS-CCES, Seoul Natl. Univ.

  • Ho-Sung Yu

    • Sungkyunkwan Univ., IBS-CINAP

  • Chang-Jong Kang

    • POSTECH

  • Soobin Sinn

    • IBS-CCES, Seoul Natl. Univ.

  • Moonsup Han

    • Univ. of Seoul

  • Young Jun Chang

    • Univ. of Seoul

  • Byeong-Gyu Park

    • Pohang Accelerator Laboratory

  • Kimoon Lee

    • Kunsan Natl. Univ.

  • Byung Il Min

    • POSTECH

  • Sung Wng Kim

    • Sungkyunkwan Univ.

  • Hyeong-Do Kim

    • IBS-CCES, Seoul Natl. Univ.

  • Tae Won Noh

    • IBS-CCES, Seoul Natl. Univ.

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• Mechanical Modulation of Tunneling Current in Transition Metal Dichalcogenides Heterostructures: A First Principles Study

  ORAL

  March 16, 2017, 10:12 AM – March 16, 2017, 10:24 AM

  Authors

  • Marcelo Kuroda

    • Auburn University

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• Band-structure effects in vertical layered-material heterostructures

  ORAL

  March 16, 2017, 10:24 AM – March 16, 2017, 10:36 AM

  Authors

  • Gabriel Constantinescu

    • University of Cambridge, UK
    • University of Cambridge

  • Nicholas Hine

    • University of Warwick, UK
    • University of Warwick

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• Ab-initio study of heterostructures of vertically stacked and rotationally aligned incommensurate 2D-films

  ORAL

  March 16, 2017, 10:36 AM – March 16, 2017, 10:48 AM

  Authors

  • Gianina Buda

    • Northeastern University
    • Northeastern Univ

  • Chris Lane

    • Northeastern University
    • Northeastern Univ

  • Zachariah Hennighausen

    • Northeastern University

  • Anthony Vargas

    • Northeastern University

  • Fangze Liu

    • Los Alamos National Laboratory
    • Los Alamos National Labs

  • Ismail Bilgin

    • Northeastern University

  • Daniel Rubin

    • Northeastern University

  • Swastik Kar

    • Department of Physics, Northeastern University
    • Northeastern University

  • Arun Bansil

    • Physics Department, Northeastern University, Boston MA 02115, USA
    • Northeastern University
    • Northeastern Univ

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