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Atomic Structure, Lattice Properties and Phase Transitions

ORAL · A12 · ID: 46768

Presentations

  • Short-range order in binary Group IV alloys

    ORAL

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    Publication: 1. Cao, B., Chen, S., Jin, X., Liu, J. & Li, T. Short-Range Order in GeSn Alloy. ACS Appl. Mater. Interfaces 12, 57245–57253 (2020).<br>2. Jin, X., Chen, S. & Li, T. Short-range order in SiSn alloy enriched by second-nearest-neighbor repulsion. Phys Rev Mater 5, 104606 (2021).

    Presenters

    • Xiaochen Jin

      George Washington University, Department of Civil and Environmental Engineering, George Washington University

    Authors

    • Xiaochen Jin

      George Washington University, Department of Civil and Environmental Engineering, George Washington University

    • Shunda Chen

      George Washington University, Department of Civil and Environmental Engineering, George Washington University

    • Boxiao Cao

      Department of Civil and Environmental Engineering, George Washington University

    • Jifeng Liu

      Thayer School of Engineering, Dartmouth College

    • Tianshu Li

      George Washington University, Department of Civil and Environmental Engineering, George Washington University

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  • Nuclear Magnetic Resonance investigation of ferroquadrupolar order in TmVO4

    ORAL

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    Presenters

    • Yu-Hsuan Nian

      Department of Physics, University of California Davis, Davis, CA

    Authors

    • Yu-Hsuan Nian

      Department of Physics, University of California Davis, Davis, CA

    • I. Vinograd

      University of California, Davis, Department of Physics, University of California Davis, Davis, CA

    • T. Greene

      Department of Physics, University of California Davis, Davis, CA

    • Z. Wang

      University of California, Davis, Department of Physics, University of California Davis, Davis, CA

    • P. Massat

      STANFORD UNIVERSITY, Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University, CA 94305, USA

    • I. R Fisher

      Stanford Univ, Stanford University; SLAC National Accelerator Laboratory, Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University, CA 94305, USA

    • N. J Curro

      University of California, Davis, Department of Physics, University of California Davis, Davis, CA

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  • A Low Temperature Structural Transition in Canfieldite, Ag<sub>8</sub>SnS<sub>6</sub>, Single Crystals

    ORAL

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    Publication: T. J. Slade, V. Gvozdetskyi, J. M. Wilde, A. Kreyssig, E. Gati, L. Wang, Y. Mudryk, R. A. Ribeiro, V. K. Pecharsky, J. V. Zaikina, S. L. Budko, P. C. Canfield. A Low Temperature Structural Transition in Canfieldite, Ag8SnS6, Single Crystals. arXiv:2110.07508

    Presenters

    • Paul C Canfield

      Iowa State University, Ames Laboratory and Department of Physics, Iowa State University, Ames Laboratory/Iowa State University

    Authors

    • Tyler J Slade

      Ames Lab

    • Volodymyr Gvozdetskyi

      Iowa State University

    • John M Wilde

      Iowa State University, Iowa State University/Ames Laboratory

    • Andreas Kreyssig

      Ames Lab

    • Elena Gati

      max planck institute, Ames Laboratory

    • Lin-Lin Wang

      Ames Lab

    • Yaroslav Mudryk

      Ames Laboratory

    • Raquel A Ribeiro

      Ames Laboratory

    • Vitalij K Pecharsky

      Ames Laboratory

    • Julia V Zaikina

      Iowa State University

    • Paul C Canfield

      Iowa State University, Ames Laboratory and Department of Physics, Iowa State University, Ames Laboratory/Iowa State University

    • Sergey L Budko

      Iowa State University, Ames Laboratory and Department of Physics, Iowa State University, Ames Laboratory/Iowa State University

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  • Optical-phonon-dominated heat transport: a first-principles thermal conductivity study of BaSnS<sub>2</sub>

    ORAL

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    Publication: 1. Optical-phonon-dominated heat transport: a first-principles thermal conductivity study of BaSnS2 (under review)

    Presenters

    • Zhi Li

      Northwestern University

    Authors

    • Zhi Li

      Northwestern University

    • Hongyao Xie

      Northwestern University

    • Shiqiang Hao

      Northwestern University

    • Yi Xia

      Northwestern University

    • Xianli Su

      Wuhan University of Technology

    • Mercouri G Kanatzidis

      Northwestern University

    • Christopher M Wolverton

      Northwestern University

    • Xinfeng Tang

      Wuhan University of Technology

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  • Magnetic Control of Soft Chiral Phonons in PbTe

    ORAL

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    Publication: https://arxiv.org/abs/2107.07616

    Presenters

    • Andrey Baydin

      Rice University

    Authors

    • Andrey Baydin

      Rice University

    • Felix Hernandez

      Universidade de S ̃ao Paulo

    • Martin A Rodriguez-vega

      University of Texas at Austin, Los Alamos National Laboratory

    • Anderson Okazaki

      Instituto Nacional de Pesquisas Espaciais

    • Fuyang Tay

      Rice Univ

    • Gary T Noe

      Rice Univ

    • Ikufumi Katayama

      Yokohama National University, Yokohama, Japan, Yokohama National University

    • Jun Takeda

      Yokohama National University, Yokohama, Japan, Yokohama National University

    • Hiroyuki Nojiri

      Tohoku University, Sendai, Japan, Tohoku University

    • Paulo Rappl

      Instituto Nacional de Pesquisas Espaciais

    • Eduardo Abramof

      Instituto Nacional de Pesquisas Espaciais

    • Gregory A Fiete

      Northeastern University

    • Junichiro Kono

      Rice Univ, Rice University

    View abstract →

  • Design and development of electroluminescent white light emitting diodes using carbon dots as active emitters

    ORAL

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    Publication: Perikala, M., Bhardwaj, A. Excellent color rendering index single system white light emitting carbon dots for next generation lighting devices. Sci Rep 11, 11594 (2021). https://doi.org/10.1038/s41598-021-91074-w<br>M. Perikala and A. Bhardwaj, "Polymer Carbon Dots for Next Generation White Light Emitting Devices," 2021 IEEE 21st International Conference on Nanotechnology (NANO), 2021, pp. 356-359, doi: 10.1109/NANO51122.2021.9514290.

    Presenters

    • Manasa Perikala

      PhD Research scholar

    Authors

    • Manasa Perikala

      PhD Research scholar

    • Asha Bhardwaj

      Assistant Professor

    View abstract →

  • Effect of the step-flow growth on defect nucleation in SiC epitaxy by first-principles simulations and machine learning interatomic potentials

    ORAL

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    Publication: [1] Kimoto, T, Yonezawa, Y. Current status and perspectives of ultrahigh-voltage SiC power devices. Mater Sci Semicond Process. 78, 43-56 (2016).<br>[2] Guo, J., Yang, Y., Raghothamachar, B., Kim, T., Dudley, M., Kim, J. Understanding the microstructures of triangular defects in 4H-SiC homoepitaxial. J. Cryst. Growth 480 (2017).<br>[3] Berechman, R.A., Skowronski, M., Zhang, Q. Electrical and structural investigation of triangular defects in 4H-SiC junction barrier Schottky devices. J. Appl. Phys. 105, 074513 (2009). <br>[4] Ramakers, S.J.J., Eckl, T., Marusczyk, A., Hammerschmidt, T., Mrovec, M., Drautz, R. Effects of thermal, elastic and surface properties on the polytype stability of SiC: an ab initio study including van der Waals interactions. In preparation.<br>[5] Vandermause, J., Torrisi, S.B., Batzner, S. et al. On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events. npj Comput Mater 6, 20 (2020).<br>[6] Xie, Y., Vandermause, J., Sun, L., Cepellotti, A., Kozinsky, B. Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene. npj Comput Mater 7, 40 (2021).<br>[7] Xie, Y., Ramakers, S.J.J., Protik, N.H., Kozinsky. B. On-the-fly Bayesian Learning with LAMMPS Molecular Dynamics, an Application of Many-body Potential of SiC. In preparation.

    Presenters

    • Senja J Ramakers

      Ruhr-Universität Bochum, Robert Bosch GmbH.

    Authors

    • Senja J Ramakers

      Ruhr-Universität Bochum, Robert Bosch GmbH.

    • Yu Xie

      Harvard University

    • Thomas Eckl

      Robert Bosch GmbH.

    • Maximilian Amsler

      Cornell University, University of Basel

    • Boris Kozinsky

      Harvard University

    • Thomas Hammerschmidt

      Ruhr-Unversität Bochum

    • Matous Mrovec

      Ruhr-Universität Bochum

    • Ralf Drautz

      ICAMS, University of Bochum, Ruhr-Universität Bochum

    View abstract →

  • Low-Energy Photoluminescence Induced by Substitutional Nitrogen in Single-Layer Tungsten Disulfide

    ORAL

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    Presenters

    • Qingkai Qian

      Key Laboratory of Optoelectronic Technology and System of Ministry of Education, College of Optoelectronic Engineering, Chongqing University, Chongqing 400044, China

    Authors

    • Qingkai Qian

      Key Laboratory of Optoelectronic Technology and System of Ministry of Education, College of Optoelectronic Engineering, Chongqing University, Chongqing 400044, China

    • Lintao Peng

      Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, United States

    • Yuanxi Wang

      Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

    • Anne Marie Z. Tan

      Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611, United States

    • Liangbo Liang

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

    • Tanushree H. Choudhury

      2D Crystal Consortium, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

    • Joan M. Redwing

      2D Crystal Consortium, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

    • Alexander A. A Puretzky

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

    • David B. Geohegan

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

    • Richard G. G Hennig

      University of Florida, Department of Materials Science and Engineering, University of Florida, Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611, United States

    • Xuedan Ma

      Argonne National Laboratory, Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, United States

    • Shengxi Huang

      The Pennsylvania State University, Pennsylvania State University, Department of Electrical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

    View abstract →