Materials Science

Authors and titles for cond-mat.mtrl-sci in Jan 2022

[1]  arXiv:2201.00086 [pdf, other]

Title: Nanomagnetism in porous amorphous palladium, a sequel. A possible light-weight magnet

Authors: Isaías Rodríguez, Renela María Valladares, David Hinojosa-Romero, Alexander Valladares, Ariel Alberto Valladares

Comments: 12 pages, 6 figures, 2 tables

Subjects: Materials Science (cond-mat.mtrl-sci); Disordered Systems and Neural Networks (cond-mat.dis-nn)

[2]  arXiv:2201.00113 [pdf, other]

Title: Electronic and Optical properties of Metallic Nitride: A comparative study between the MN (M=Al, Ga, In, Tl) monolayers

Authors: Nzar Rauf Abdullah, Botan Jawdat Abdullah, Vidar Gudmundsson

Comments: RevTeX - pdfLaTeX, 8 pages with 7 pdf-figures included

Journal-ref: Solid State Communications 346, 114705 (2022)

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

[3]  arXiv:2201.00116 [pdf, other]

Title: Enhanced ultraviolet absorption in BN monolayers caused by tunable buckling

Authors: Nzar Rauf Abdullah, Botan Jawdat Abdullah, Chi-Shung Tang, Vidar Gudmundsson

Comments: RevTeX - pdfLaTeX, 9 pages with 7 pdf-figures included

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

[4]  arXiv:2201.00134 [pdf, ps, other]

Title: Giant widening of interface magnetic layer in almost compensated iron garnet

Authors: Y. B. Kudasov, M. V. Logunov, R. V. Kozabaranov, I. V. Makarov, V. V. Platonov, O. M. Surdin, D. A. Maslov, A. S. Korshunov, I. S. Strelkov, A. I. Stognij, V. D. Selemir, S. A. Nikitov

Comments: 10 pages, 5 figures

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

[5]  arXiv:2201.00172 [pdf, ps, other]

Title: First-principles insights into the mechanical, optoelectronic, thermophysical, and lattice dynamical properties of binary topological semimetal BaGa2

Authors: M.I. Naher, S.H. Naqib

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

[6]  arXiv:2201.00210 [pdf, ps, other]

Title: Ferroelectricity in $\mathrm{HfO_2}$ from a chemical perspective

Authors: Jun-Hui Yuan, Ge-Qi Mao, Kan-Hao Xue, Na Bai, Chengxu Wang, Yan Cheng, Hangbing Lyu, Huajun Sun, Xingsheng Wang, Xiangshui Miao

Comments: 14 pages, 4 figures

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

[7]  arXiv:2201.00211 [pdf, other]

Title: Temperature Effect on Charge-state Transition Levels of Defects in Semiconductors

Authors: Shuang Qiao, Yu-Ning Wu, Xiaolan Yan, Bartomeu Monserrat, Su-Huai Wei, Bing Huang

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

[8]  arXiv:2201.00212 [pdf, other]

Title: The Impact of Nitrogen Doping on Structural and Electronic Properties of Titanium Sesquioxide, Ti 2 O 3 : An ab-initio Study

Authors: Lynet Allan (1), George O Amolo (2), Julius Mwabora (1), Silas Mureramanzi (1) ((1) Department of Physics, School of Physical Sciences, University of Nairobi, P.O.Box 30197-00100 Nairobi Kenya. (2) Materials Modeling Group, School of Physics and Earth Sciences, The Technical University of Kenya, 52428-00200, Nairobi, Kenya)

Comments: 6 pages, 7 figures, 2 tables

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

[9]  arXiv:2201.00247 [pdf, ps, other]

Title: Now is the time to build a national data ecosystem for materials science and chemistry research data

Authors: E.M. Campo, S. Shankar, A.S. Szalay, R.J. Hanisch

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

[10]  arXiv:2201.00289 [pdf, ps, other]

Title: Nonvolatile Electric-Field Control of Inversion Symmetry

Authors: Lucas Caretta (1), Yu-Tsun Shao (2), Jia Yu (3), Antonio B. Mei (4), Bastien F. Grosso (5), Cheng Dai (6), Piush Behera (1), Daehun Lee (3), Margaret McCarter (7), Eric Parsonnet (7), Harikrishnan K.P. (2), Fei Xue (6), Ed Barnard (8), Steffen Ganschow (9), Archana Raja (8), Lane W. Martin (1, 10), Long-Qing Chen (6), Manfred Fiebig (5), Keji Lai (3), Nicola A. Spaldin (5), David A. Muller (2, 11), Darrell G. Schlom (4, 9, 11), Ramamoorthy Ramesh (1, 7, 10) ((1) Department of Materials Science and Engineering, University of California Berkeley, (2) School of Applied and Engineering Physics, Cornell University, (3) Department of Physics, University of Texas Austin, (4) Department of Materials Science and Engineering, Cornell University, (5) Department of Materials, ETH Zurich (6) Department of Materials Science and Engineering, The Pennsylvania State University, (7) Department of Physics, University of California Berkeley, (8) Molecular Foundry, Lawrence Berkeley National Laboratory, (9) Leibniz-Institut für Kristallzüchtung, (10) Materials Sciences Division, Lawrence Berkeley National Laboratory, (11) Kavli Institute at Cornell for Nanoscale Science)

Comments: L Caretta and Y-T Shao contributed equally. 64 pages, 4 figures, 25 supplemental figures, 1 supplemental table

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

[11]  arXiv:2201.00294 [pdf, ps, other]

Title: Exploring Native Atomic Defects in NiTe2

Authors: Wen-Xiao Wang, Kaihui Li, Xiaoshan Dong, Hao Xie, Jinglan Qiu, Chunqiang Xu, Kai Liu, Juntao Song, Yi-Wen Wei, Ke-Ke Bai, Xiaofeng Xu, Ying Liu

Comments: 17 pages, 4 figures, 1 table

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

[12]  arXiv:2201.00297 [pdf, ps, other]

Title: AutoDisk: Automated Diffraction Processing and Strain Mapping in 4D-STEM

Authors: Sihan Wang, Tim Eldred, Jacob Smith, Wenpei Gao

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

[13]  arXiv:2201.00316 [pdf, ps, other]

Title: Symmetry analysis of magnetoelectric effects in perovskite-based multiferroics

Authors: Zukhra Gareeva, Anatoly Zvezdin, Konstantin Zvezdin, Xiang Ming Chen

Comments: 15 pages, 2 figures, 6 Tables

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

[14]  arXiv:2201.00340 [pdf, ps, other]

Title: Electrochemically-driven insulator-metal transition in ionic-liquid-gated antiferromagnetic Mott-insulating NiS$_2$ single crystals

Authors: Sajna Hameed, Bryan Voigt, John Dewey, William Moore, Damjan Pelc, Bhaskar Das, Sami El-Khatib, Javier Garcia-Barriocanal, Bing Luo, Nick Seaton, Guichuan Yu, Chris Leighton, Martin Greven

Comments: 4 figures, included supplement

Subjects: Materials Science (cond-mat.mtrl-sci); Strongly Correlated Electrons (cond-mat.str-el); Superconductivity (cond-mat.supr-con)

[15]  arXiv:2201.00396 [pdf, other]

Title: First Principles Investigation of Transition Metal Doped WSe$_{2}$ Monolayer for Photocatalytic Water Splitting

Authors: Celine Wu, Xuan Luo

Comments: 10 pages, 4 figures

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

[16]  arXiv:2201.00452 [pdf, ps, other]

Title: Cellulose-Based Reflective Liquid Crystal Films as Optical Filters and Solar Gain Regulators

Authors: Joshua A. De La Cruz, Qingkun Liu, Bohdan Senyuk, Allister W. Frazier, Karthik Peddireddy, Ivan I. Smalyukh

Subjects: Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft); Optics (physics.optics)

[17]  arXiv:2201.00479 [pdf, ps, other]

Title: Exchange Bias and Interface-related Effects in Two-dimensional van der Waals Magnetic Heterostructures: Open Questions and Perspectives

Authors: Manh-Huong Phan, Vijaysankar Kalappattil, Valery Ortiz Jimenez, Yen Thi Hai Pham, Nivarthana W.Y.A.Y. Mudiyanselage, Derick Detellem, Chang-Ming Hung, Amit Chanda, Tatiana Eggers

Comments: 10 figures

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

[18]  arXiv:2201.00500 [pdf, ps, other]

Title: Uniaxial Strain-Induced Electronic Properties Alteration of MoS$_2$ Monolayer

Authors: A. Setiawan, I. P. Handayani, E. Suprayoga

Comments: 12 pages, 4 figures

Journal-ref: Adv. Nat. Sci: Nanosci. Nanotechnol. 12, 045016 (2021)

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

[19]  arXiv:2201.00516 [pdf, ps, other]

Title: Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates

Authors: Jing Wu, E Zhou, An Huang, Hongbin Zhang, Ming Hu, Guangzhao Qin

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

[20]  arXiv:2201.00606 [pdf, ps, other]

Title: Solid-like to Liquid-like Behavior of Cu Diffusion in Superionic Cu2X (X=S, Se): An Inelastic Neutron Scattering and Ab-Initio Molecular Dynamics Investigation

Authors: Sajan Kumar, M. K. Gupta, Prabhatasree Goel, R. Mittal, Olivier Delaire, A. Thamizhavel, S. Rols, S. L. Chaplot

Comments: 29 Pages, 7 Figures

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

[21]  arXiv:2201.00610 [pdf, other]

Title: Black Phosphorus n-type doping by Cu: a microscopic surface investigation

Authors: Abhishek Kumar, Francesca Telesio, Deborah Prezzi, Claudia Cardoso, Alessandra Catellani, Stiven Forti, Camilla Coletti, Manuel Serrano-Ruiz, Maurizio Peruzzini, Fabio Beltram, Stefan Heun

Journal-ref: J. Phys. Chem. C 2021, 125, 13477-13484

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

[22]  arXiv:2201.00709 [pdf, ps, other]

Title: Phase Diagram of Infinite-layer Nickelate Compounds from First- and Second-principles Calculations

Authors: Yajun Zhang, Jingtong Zhang, Xu He, Jie Wang, Philippe Ghosez

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

[23]  arXiv:2201.00735 [pdf, other]

Title: Rb-induced (3x1) and (6x1) reconstructions on Si(111)-(7x7): A LEED and STM study

Authors: Letizia Ferbel, Stefano Veronesi, Stefan Heun

Comments: 23 pages, 8 figures, for associated Supporting Information see this URL this https URL

Journal-ref: Surface Science, 718, 2022, 122011

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

[24]  arXiv:2201.00901 [pdf, other]

Title: Nonlocal Pseudopotential Energy Density Functional for Orbital-Free Density Functional Theory

Authors: Qiang Xu, Cheng Ma, Wenhui Mi, Yanchao Wang, Yanming Ma

Comments: 8 pages, 4 figures

Journal-ref: Nature Communications, 13, 1385 (2022)

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

[25]  arXiv:2201.00922 [pdf, other]

Title: Benchmarking of different strategies to include anisotropy in a curvature-driven multi-phase-field model

Authors: Martin Minar, Nele Moelans

Comments: 19 pages, 9 figures, 6 tables (main text and Supplemental Material merged). Link to the used MATLAB code in the references. In response to reviewers' comments, the main message of the paper changed and the sections Title, Abstract, Introduction, Methodology and Conclusion underwent major revision. The results are consistent with the first version

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