Materials Science

Authors and titles for cond-mat.mtrl-sci in Jun 2023

[1]  arXiv:2306.00106 [pdf, ps, other]

Title: Thermodynamic, Kinetic and Mechanical Modeling to Evaluate CO2-induced Corrosion via Oxidation and Carburization in Fe, Ni alloys

Authors: Aditya Sundar, Aaron Feinauer, Bryan Kinzer, Joerg Petrasch, Liang Qi, Rohini Bala Chandran

Subjects: Materials Science (cond-mat.mtrl-sci)

[2]  arXiv:2306.00162 [pdf, ps, other]

Title: Strain Anisotropy Driven Spontaneous Formation of Nanoscrolls from Two-Dimensional Janus Layers

Authors: Mohammed Sayyad, Ying Qin, Jan Kopaczek, Adway Gupta, Naim Patoary, Shantanu Sinha, Emmie Benard, Austin Davis, Kentaro Yumigeta, Cheng-Lun Wu, Han Li, Shize Yang, Ivan Sanchez Esqueda, Arunima Singh, Sefaattin Tongay

Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Other Condensed Matter (cond-mat.other); Quantum Physics (quant-ph)

[3]  arXiv:2306.00205 [pdf, other]

Title: Kinetic Friction of Structurally Superlubric 2D Material Interfaces

Authors: Jin Wang, Ming Ma, Erio Tosatti

Comments: submitted to Journal of the Mechanics and Physics of Solids

Journal-ref: Journal of the Mechanics and Physics of Solids (2023),180,105396

Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Statistical Mechanics (cond-mat.stat-mech)

[4]  arXiv:2306.00320 [pdf, ps, other]

Title: Oxide perovskite BaSnO3: A promising high-temperature thermoelectric material for transparent conducting oxides

Authors: Xiefei Song, Guangzhao Wang, Li Zhou, Haiyan Yang, Xiaopan Li, Haitao Yang, Yuncheng Shen, Guangyang Xu, Yuhui Luo, Ning Wang

Comments: 31 pages,6 figures,2 tables

Subjects: Materials Science (cond-mat.mtrl-sci)

[5]  arXiv:2306.00363 [pdf, other]

Title: Database mining and first-principles assessment of organic proton-transfer ferroelectrics

Authors: Seyedmojtaba Seyedraoufi, Elin Dypvik Sødahl, Carl Henrik Görbitz, Kristian Berland

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[6]  arXiv:2306.00448 [pdf, other]

Title: CrTe$_2$ as a two-dimensional material for topological magnetism in complex heterobilayers

Authors: Nihad Abuawwad, Manuel dos Santos Dias, Hazem Abusara, Samir Lounis

Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall)

[7]  arXiv:2306.00797 [pdf, other]

Title: Microstructure quality control of steels using deep learning

Authors: Ali Riza Durmaz, Sai Teja Potu, Daniel Romich, Johannes Möller, Ralf Nützel

Subjects: Materials Science (cond-mat.mtrl-sci); Artificial Intelligence (cs.AI)

[8]  arXiv:2306.00827 [pdf, other]

Title: Bulk conducting states of intrinsically doped Bi$_2$Se$_3$

Authors: Rodrigo T. Paulino, Marcos A. Avila

Comments: 9 pages, 4 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[9]  arXiv:2306.00901 [pdf, other]

Title: Unraveling the Catalytic Effect of Hydrogen Adsorption on Pt Nanoparticle Shape-Change

Authors: Cameron J. Owen, Nicholas Marcella, Yu Xie, Jonathan Vandermause, Anatoly I. Frenkel, Ralph G. Nuzzo, Boris Kozinsky

Comments: 30 pages, 22 figures (5 main, 17 SI); updated acknowledgements

Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[10]  arXiv:2306.00970 [pdf, other]

Title: Improving the reliability of machine learned potentials for modeling inhomogenous liquids

Authors: Kamron Fazel, Nima Karimitari, Tanooj Shah, Christopher Sutton, Ravishankar Sundararaman

Comments: 8 pages, 4 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[11]  arXiv:2306.01115 [pdf, ps, other]

Title: Native defect association in beta-Ga2O3 enables room-temperature p-type conductivity

Authors: Zeyu Chi, Corinne Sartel, Yunlin Zheng, Sushrut Modak, Leonid Chernyak, Christian M Schaefer, Jessica Padilla, Jose Santiso, Arie Ruzin, Anne-Marie Goncalves, Jurgen von Bardeleben, Gerard Guillot, Yves Dumont, Amador Perez-Tomas, Ekaterine Chikoidze

Comments: 21pages; 9figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[12]  arXiv:2306.01146 [pdf, ps, other]

Title: Structural Trends and Itinerant Magnetism of the New Cage-structured Compound HfMn$_{2}$Zn$_{20}$

Authors: Nusrat Yasmin, Md Fahel Bin Noor, Tiglet Besara

Comments: Accepted for publication in Journal of Physics: Condensed Matter

Subjects: Materials Science (cond-mat.mtrl-sci)

[13]  arXiv:2306.01167 [pdf, other]

Title: Constraints on proximity-induced ferromagnetism in a Dirac semimetal (Cd$_3$As$_2$)/ferromagnetic semiconductor (Ga$_{1-x}$Mn$_x$Sb) heterostructure

Authors: Arpita Mitra, Run Xiao, Wilson Yanez, Yongxi Ou, Juan Chamorro, Tyrel McQueen, Alexander J. Grutter, Julie A. Borchers, Michael R. Fitzsimmons, Timothy R. Charlton, Nitin Samarth

Journal-ref: Phys. Rev. Materials 7, 094201 (2023)

Subjects: Materials Science (cond-mat.mtrl-sci)

[14]  arXiv:2306.01370 [pdf, other]

Title: Insight into the electronic structure of the centrosymmetric skyrmion magnet GdRu$_2$Si$_2$

Authors: S. V. Eremeev, D. Glazkova, G. Poelchen, A. Kraiker, K. Ali, A. V. Tarasov, S. Schulz, K. Kliemt, E.V. Chulkov, V. S. Stolyarov, A. Ernst, C. Krellner, D.Yu. Usachov, D.V. Vyalikh

Comments: 13 pages, 8 figures

Journal-ref: Nanoscale Adv., 2023,5, 6678-6687

Subjects: Materials Science (cond-mat.mtrl-sci)

[15]  arXiv:2306.01371 [pdf, other]

Title: Zero-Point Quantum Diffusion of Proton in Hydrogen-rich Superconductor $LaH_{10}$

Authors: Xuejian Qin, Hongyu Wu, Guyong Shi, Chao Zhang, Peiheng Jiang, Zhicheng Zhong

Comments: 7 pages, 6 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[16]  arXiv:2306.01413 [pdf, other]

Title: Theory of magnetic field-stabilized compact skyrmions in thin film ferromagnets

Authors: Anne Bernand-Mantel, Anaïs Fondet, Sarah Barnova, Theresa M. Simon, Cyrill B. Muratov

Subjects: Materials Science (cond-mat.mtrl-sci)

[17]  arXiv:2306.01478 [pdf, other]

Title: Unraveling the interlayer and intralayer coupling in two-dimensional layered MoS$_2$ by X-ray absorption spectroscopy and ab initio molecular dynamics simulations

Authors: Inga Pudza, Dmitry Bocharov, Andris Anspoks, Matthias Krack, Aleksandr Kalinko, Edmund Welter, Alexei Kuzmin

Journal-ref: Mater. Today Commun. 35 (2023) 106359

Subjects: Materials Science (cond-mat.mtrl-sci)

[18]  arXiv:2306.01558 [pdf, ps, other]

Title: Accelerating the electronic-structure calculation of magnetic systems by equivariant neural networks

Authors: Yang Zhong, Binhua Zhang, Hongyu Yu, Xingao Gong, Hongjun Xiang

Comments: 15 pages, 5 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph)

[19]  arXiv:2306.01664 [pdf, other]

Title: Chiral electrons and spin selectivity at chiral-achiral interfaces

Authors: Xiaoming Wang, Yeming Xian, Yanfa Yan

Comments: 6 pages, 6 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[20]  arXiv:2306.01672 [pdf, other]

Title: First-Principles Property Assessment of Hybrid Formate Perovskites

Authors: Abduljelili Popoola, Partha Sarathi Ghosh, Maggie Kingsland, Ravi Kashikar, Derrick DeTellem, Yixuan Xu, Shengqian Ma, Sarath Witanachchi, Sergey Lisenkov, Inna Ponomareva

Subjects: Materials Science (cond-mat.mtrl-sci)

[21]  arXiv:2306.01846 [pdf, other]

Title: The phase stability of large-size nanoparticle alloy catalysts at ab initio quality using a nearsighted force-training approach

Authors: Cheng Zeng, Sushree Jagriti Sahoo, Andrew J. Medford, Andrew A. Peterson

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[22]  arXiv:2306.01873 [pdf, other]

Title: Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases

Authors: Busheng Wang, Katerina P. Hilleke, Samad Hajinazar, Gilles Frapper, Eva Zurek

Journal-ref: J. Chem. Theory Comput. 2023, 19, 21, 7960

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[23]  arXiv:2306.01878 [pdf, other]

Title: Phosphorescence and donor-acceptor pair recombination in laboratory-grown diamonds

Authors: Jiahui Zhao, Ben L. Green, Ben G. Breeze, Mark E. Newton

Comments: 15 pages, 13 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[24]  arXiv:2306.01892 [pdf, other]

Title: A fully ab initio approach to inelastic atom-surface scattering

Authors: Michelle M. Kelley, Ravishankar Sundararaman, Tomás A. Arias

Comments: 6 pages, 5 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Other Condensed Matter (cond-mat.other); Quantum Physics (quant-ph)

[25]  arXiv:2306.01979 [pdf, other]

Title: Thickness-dependent, tunable anomalous Hall effect in hydrogen-reduced PdCoO$_2$ thin films

Authors: Gaurab Rimal, Yiting Liu, Matthew Brahlek, Seongshik Oh

Subjects: Materials Science (cond-mat.mtrl-sci)