Materials Science

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

[1]  arXiv:2303.00124 [pdf, other]

Title: Tilted Dirac cones and topological transitions in strained kagome lattices

Authors: M. A. Mojarro, Sergio E. Ulloa

Journal-ref: 2D Mater. 11 (2024) 011001

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

[2]  arXiv:2303.00256 [pdf, ps, other]

Title: Influence of Structural Defects on Charge Density Waves in 1T-TaS2

Authors: I. Lutsyk, K. Szalowski, P. Krukowski, P. Dabrowski, M. Rogala, W. Kozlowski, M. Le Ster, M. Piskorski, D.A. Kowalczyk, W. Rys, R. Dunal, A. Nadolska, K. Toczek, P. Przybysz, E. Lacinska, J. Binder, A. Wysmolek, N. Olszowska, J.J. Kolodziej, M. Gmitra, T. Hattori, Y. Kuwahara, G. Bian, T.-C. Chiang, P.J. Kowalczyk

Comments: 25 pages + 5 pages in SI, 6 figures + 6 figures in SI

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

[3]  arXiv:2303.00294 [pdf, other]

Title: Covalency, correlations, and inter-layer interactions governing the magnetic and electronic structure of Mn$_3$Si$_2$Te$_6$

Authors: Chiara Bigi, Lei Qiao, Chao Liu, Paolo Barone, Monica Ciomaga Hatnean, Gesa-R. Siemann, Barat Achinuq, Daniel Alexander Mayoh, Giovanni Vinai, Vincent Polewczyk, Deepak Dagur, Federico Mazzola, Peter Bencok, Thorsten Hesjedal, Gerrit van der Laan, Wei Ren, Geetha Balakrishnan, Silvia Picozzi, Phil D. C. King

Journal-ref: Phys. Rev. B 108, 054419 (2023)

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

[4]  arXiv:2303.00309 [pdf, other]

Title: Thermodynamically consistent non-isothermal phase-field modelling of elastocaloric effect: indirect vs direct method

Authors: Wei Tang, Qihua Gong, Min Yi, Bai-Xiang Xu, Long-Qing Chen

Comments: 26 pages, 10 figures

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

[5]  arXiv:2303.00327 [pdf, ps, other]

Title: Thermodynamic determination of the equilibrium first-order phase-transition line hidden by hysteresis in a phase diagram

Authors: Keisuke Matsuura, Yo Nishizawa, Markus Kriener, Takashi Kurumaji, Hiroshi Oike, Yoshinori Tokura, Fumitaka Kagawa

Comments: 22 pages, 7 figures

Journal-ref: Scientific Reports 13, 6876 (2023)

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

[6]  arXiv:2303.00401 [pdf, ps, other]

Title: Structure Determination in a new Type of Amorphous Molecular Solids with Different Nonlinear Optical Properties: A Comparative Structural Analysis

Authors: Jonathan Link Vasco, Jens Ruediger Stellhorn, Benjamin Danilo Klee, Benedict Paulus, Juergen Belz, Johannes Haust, Shinya Hosokawa, Shinjiro Hayakawa, Kerstin Volz, Iran Rojas León, Jan Christmann, Stefanie Dehnen, Wolf-Christian Pilgrim

Comments: 12 pages, 8 figures

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

[7]  arXiv:2303.00494 [pdf, ps, other]

Title: Plasma induced surface modification of sapphire and its influence on graphene grown by PECVD

Authors: Miguel Sinusia Lozano, Ignacio Bernat-Montoya, Todora Ivanova Angelova, Alberto Boscá Mojena, Francisco J. Díaz-Fernández, Miroslavna Kovylina, Alejandro Martínez, Elena Pinilla Cienfuegos, Víctor J. Gómez

Comments: 27 pages, 6 figures

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

[8]  arXiv:2303.00513 [pdf, other]

Title: Hidden orders and (anti-)Magnetoelectric Effects in Cr$_2$O$_3$ and $α$-Fe$_2$O$_3$

Authors: Xanthe H. Verbeek, Andrea Urru, Nicola A. Spaldin

Journal-ref: Phys. Rev. Res. 5(4):L042018 (2023)

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

[9]  arXiv:2303.00602 [pdf, other]

Title: Numerical Simulations of a Spin Dynamics Model Based on a Path Integral Approach

Authors: Thomas Nussle, Stam Nicolis, Joseph Barker

Journal-ref: Phys. Rev. Research 5, 043075 (2023)

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

[10]  arXiv:2303.00641 [pdf, other]

Title: Interplay between magnetism and short-range order in medium- and high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi

Authors: Christopher D. Woodgate, Daniel Hedlund, L. H. Lewis, Julie B. Staunton

Comments: 26 pages, 4 figures, 2 tables

Journal-ref: Phys. Rev. Materials 7, 053801 (2023)

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

[11]  arXiv:2303.00741 [pdf, other]

Title: Born effective charges and vibrational spectra in super and bad conducting metals

Authors: Guglielmo Marchese, Francesco Macheda, Luca Binci, Matteo Calandra, Paolo Barone, Francesco Mauri

Subjects: Materials Science (cond-mat.mtrl-sci); Superconductivity (cond-mat.supr-con)

[12]  arXiv:2303.00790 [pdf, other]

Title: Solving the electronic structure problem for over 100,000 atoms in real-space

Authors: Mehmet Dogan, Kai-Hsin Liou, James R. Chelikowsky

Journal-ref: Phys. Rev. Materials 7, L063001 (2023)

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

[13]  arXiv:2303.00824 [pdf, ps, other]

Title: Proton-fluence dependent magnetic properties of exfoliable quasi-2D van der Waals Cr2Si2Te6 magnet

Authors: Hector Iturriaga, Ju Chen, Jing Yang, Luis M. Martinez, Martin Kirk, Lin Shao, Y. Liu, C. Petrovic, Srinivasa R. Singamaneni

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

[14]  arXiv:2303.00929 [pdf, other]

Title: Stoichiometric growth of SrTiO3 films via Bayesian optimization with adaptive prior mean

Authors: Yuki K. Wakabayashi, Takuma Otsuka, Yoshiharu Krockenberger, Hiroshi Sawada, Yoshitaka Taniyasu, Hideki Yamamoto

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

[15]  arXiv:2303.00956 [pdf, ps, other]

Title: Synthesis and physical properties of a new layered ferromagnet, Cr1.21Te2

Authors: Zhixue Shu, Haozhe Wang, Na Hyun Jo, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, Weiwei Xie, Tai Kong

Comments: 6 figures

Journal-ref: Phys. Rev. M 7, 044406 (2023)

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

[16]  arXiv:2303.01001 [pdf, ps, other]

Title: Transferability of force fields for 2D silicon (silicene)

Authors: Marcin Maździarz

Comments: 26 pages, 2 figures

Journal-ref: Beilstein Journal of Nanotechnology (2023)

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

[17]  arXiv:2303.01226 [pdf, other]

Title: Methods used in nanostructure modeling

Authors: I. Camps

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

[18]  arXiv:2303.01319 [pdf, ps, other]

Title: DFT based investigation of bulk mechanical, thermophysical and optoelectronic properties of PbTaSe2 topological semimetal

Authors: A.S.M. Muhasin Reza, S.H. Naqib

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

[19]  arXiv:2303.01477 [pdf, other]

Title: Fundamental laws of chiral band crossings: local constraints, global constraints, and topological phase diagrams

Authors: Kirill Alpin, Moritz M. Hirschmann, Niclas Heinsdorf, Andreas Leonhardt, Wan Yee Yau, Xianxin Wu, Andreas P. Schnyder

Comments: 34 pages, 16 figures

Journal-ref: Phys. Rev. Research 5, 043165 (2023)

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

[20]  arXiv:2303.01539 [pdf, ps, other]

Title: Temperature-dependent elastic constants of thorium dioxide probed using time-domain Brillouin scattering

Authors: Amey Khanolkar, Yuzhou Wang, Cody A. Dennett, Zilong Hua, J. Matthew Mann, Marat Khafizov, David H. Hurley

Comments: Manuscript submitted to a peer-reviewed journal

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

[21]  arXiv:2303.01603 [pdf, other]

Title: Anharmonic Fluctuations Govern the Band Gap of Halide Perovskites

Authors: Stefan A. Seidl, Xiangzhou Zhu, Guy Reuveni, Sigalit Aharon, Christian Gehrmann, Sebastián Caicedo-Dávila, Omer Yaffe, David A. Egger

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

[22]  arXiv:2303.01627 [pdf, other]

Title: A New Two-Dimensional Dirac Semimetal Based on the Alkaline Earth Metal, CaP$_3$

Authors: Seoung-Hun Kang, Wei Luo, Sinchul Yeom, Yaling Zheng, Mina Yoon

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

[23]  arXiv:2303.01659 [pdf, other]

Title: Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon resonant scattering

Authors: Zilong Hua, Saqeeb Adnan, Amey R. Khanolkar, Karl Rickert, David B. Turner, Timothy A. Prusnick, J. Matthew Mann, David H. Hurley, Marat Khafizov, Cody A. Dennett

Comments: 7 pages, 4 figures

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

[24]  arXiv:2303.01755 [pdf, other]

Title: Kittel law and domain formation mechanism in PbTiO$_3$/SrTiO$_3$ superlattices

Authors: Fernando Gómez-Ortiz, Hugo Aramberri, Juan M. López, Pablo García-Fernández, Jorge Íñiguez, Javier Junquera

Comments: 7 pages, 6 Figures

Journal-ref: Physical Review B 107, 174102 (2023)

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

[25]  arXiv:2303.01761 [pdf, other]

Title: Entropic Stabilization and Descriptors of Structural Transformation in High Entropy Alloys

Authors: Narendra Kumar, Umesh V. Waghmare

Comments: 8 pages, 4 figures

Journal-ref: Acta Materialia 255 (2023) 119077

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