APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session S43: Computational Design and Discovery of Novel Materials IV: 2D and Layered Materials
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Sponsoring Units: DCOMP DMP
Chair: Kai-Ming Ho, Iowa State University
Room: 702
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S43.00001: Computational Discovery at the Interface of Chemistry and Materials: 1D Carbon Nanothreads and 2D Polar Metals
Invited Speaker:
Vincent Crespi
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S43.00002: Robust Half-Metallicity and Perfect Spin Filtering in 2D oxide layer
Arqum Hashmi, Kenta Nakanishi, Muhammad Umar Farooq, Tomoya Ono
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S43.00003: Giant polarization charge density at ScN/GaN interfaces
Nicholas Adamski, Cyrus Dreyer, Chris Van de Walle
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S43.00004: Quasi-Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis and Application
Zahra Hemmat, John Cavin, Alireza Ahmadiparidari, Alexander Ruckel, Sung Beom Cho, Robert Klie, Rohan Mishra, Amin Salehi-Khojin
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S43.00005: First-principles prediction of optomechanically controlling phase transition of IV-VI semiconductors
Jian Zhou
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S43.00006: Predicting synthesizable multi-functional edge reconstructions in two-dimensional transition metal dichalcogenides
Guoxiang Hu, Anh Pham, Victor Fung, Xiahan Sang, Raymond Unocic, Panchapakesan Ganesh
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S43.00007: Hybrid assemblies of two-dimensional octagonal monolayers of C and BN
Prashant Vijay Gaikwad, Anjali Kshirsagar
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S43.00008: Theoretical studies on excitonic and half-metallic properties in 2D chalcogenides
Xiaolong Zou, NanNan Luo, Shuqing Zhang
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S43.00009: New 2D massless Dirac fermion systems and quantum spin Hall insulators based on sp–sp2 carbon sheets
Minwoo Park, Youngkuk Kim, Hoonkyung Lee
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S43.00010: A first principle study on the role of Li intercalation in the structural transition from a few-layer black to blue phosphorene
Md Rajib khan Musa, Ming Yu
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S43.00011: The role of Configurational entropy in real time mass sensing.
Sudeep Adhikari, Kevin Stuart David Beach
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S43.00012: A Computational Study of Layered Sulfides for CO2 Reduction Photocatalysts
Hao Yu, Elizabeth A Peterson, Jeffrey B Neaton
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S43.00013: Stabilized Penta-silicene: An Elemental Ferroelectric Material with High Curie Temperature
Yaguang Guo, Qian Wang
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