Materials Science

Authors and titles for cond-mat.mtrl-sci in Mar 2024, skipping first 75

[76]  arXiv:2403.03564 [pdf, ps, other]

Title: Tellurization of Pd(111): absence of PdTe$_2$ but formation of a TePd$_2$ surface alloy

Authors: Eric Engel, Alexander Wegerich, Andreas Raabgrund, M. Alexander Schneider

Comments: 4 pages, 3 figures

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

[77]  arXiv:2403.03571 [pdf, other]

Title: Anisotropic power diagrams for polycrystal modelling: efficient generation of curved grains via optimal transport

Authors: Maciej Buze, Jean Feydy, Steven M. Roper, Karo Sedighiani, David P. Bourne

Comments: 25 pages, 6 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Optimization and Control (math.OC)

[78]  arXiv:2403.03588 [pdf, other]

Title: Projector-based efficient estimation of force constants

Authors: Atsuto Seko, Atsushi Togo

Comments: 16 pages, 9 figures

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

[79]  arXiv:2403.03673 [pdf, other]

Title: Revisiting phonon thermal transport in two-dimensional gallium nitride: higher-order phonon-phonon and phonon-electron scattering

Authors: Jianshi Sun, Xiangjun Liu, Yucheng Xiong, Yuhang Yao, Xiaolong Yang, Cheng Shao, Shouhang Li

Comments: 6 pages, 3 figures

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

[80]  arXiv:2403.03735 [pdf, ps, other]

Title: Engineering of a Layered Ferromagnet via Graphitization: An Overlooked Polymorph of GdAlSi

Authors: Dmitry V. Averyanov, Ivan S. Sokolov, Alexander N. Taldenkov, Oleg E. Parfenov, Konstantin V. Larionov, Pavel B. Sorokin, Oleg A. Kondratev, Andrey M. Tokmachev, Vyacheslav G. Storchak

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

[81]  arXiv:2403.03764 [pdf, other]

Title: The role of interfacial interactions and oxygen vacancies in tuning magnetic anisotropy in LaCrO$_{3}$/LaMnO$_{3}$ heterostructures

Authors: Xuanyi Zhang, Athby Al-Tawhid, Padraic Schafer, Zhan Zhang, Divine P. Kumah

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

[82]  arXiv:2403.03922 [pdf, other]

Title: Collision Cascade-Driven Evolution of Vacancy Defects in Ni-Based Concentrated Solid-Solution Alloys

Authors: A. Aligayev, M. Landeiro Dos Reis, A. Chartier, Q. Huang, S. Papanikolaou, F. J. Dominguez-Gutierrez

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

[83]  arXiv:2403.04093 [pdf, ps, other]

Title: Atom probe tomography: a local probe for chemical bonds in solids

Authors: Oana Cojocaru-Mirédin, Yuan Yu, Jan Köttgen, Tanmoy Ghosh, Carl-Friedrich Schön, Shuai Han, Chongjian Zhou, Matthias Wuttig

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

[84]  arXiv:2403.04166 [pdf, ps, other]

Title: Nonequilibrium magnonic thermal transport engineering

Authors: Takamasa Hirai, Toshiaki Morita, Subrata Biswas, Jun Uzuhashi, Takashi Yagi, Yuichiro Yamashita, Varun Kushwaha Kumar, Fuya Makino, Rajkumar Modak, Yuya Sakuraba, Tadakatsu Ohkubo, Rulei Guo, Bin Xu, Junichiro Shiomi, Daichi Chiba, Ken-ichi Uchida

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

[85]  arXiv:2403.04188 [pdf, other]

Title: OH$^-$ ions can reduce the iodide migration in MAPI

Authors: R. E. Brophy, M. Kateb, I. Ghitiu, N. Filipoiu, K. Torfason, H. G. Svavarsson, G. A. Nemnes, I. Pintilie, A. Manolescu

Comments: 2023 International Semiconductor Conference (CAS), Sinaia, Romania

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

[86]  arXiv:2403.04217 [pdf, other]

Title: Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials' Surfaces

Authors: Bruno Focassio, Luis Paulo Mezzina Freitas, Gabriel R. Schleder

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

[87]  arXiv:2403.04241 [pdf, ps, other]

Title: Pressure tuning of hydrogen bond ordering in the metal-organic framework [(CH3)2NH2]Mn(HCOO)3

Authors: Na Su, Yinina Ma, Shuang Liu, Wei Wu, Jianlin Luo, Young Sun

Comments: 16 pages, 7 figures

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

[88]  arXiv:2403.04244 [pdf, ps, other]

Title: Resonant Quantum Magnetodielectric Effect in Multiferroic Metal-Organic Framework [CH3NH3]Co(HCOO)3

Authors: Na Su, Shuang Liu, Yingjie He, Yan Liu, Huixia Fu, Yi-Sheng Chai, Young Sun

Comments: 13 pages, 4 figures

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

[89]  arXiv:2403.04351 [pdf, other]

Title: Speeding up all-electron real-time TDDFT demonstrated by the exciting package

Authors: Ronaldo Rodrigues Pela, Claudia Draxl

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

[90]  arXiv:2403.04394 [pdf, ps, other]

Title: Improved sequentially processed Cu(In,Ga)(S,Se)2 by Ag alloying

Authors: Aubin JC. M. Prot, Michele Melchiorre, Tilly Schaaf, Ricardo G. Poeira, Hossam Elanzeery, Alberto Lomuscio, Souhaib Oueslati, Anastasia Zelenina, Thomas Dalibor, Gunnar Kusch, Yucheng Hu, Rachel A. Oliver, Susanne Siebentritt

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

[91]  arXiv:2403.04426 [pdf, other]

Title: Spin-Phonon interaction in quasi 2D- Cr$_2Te_3$

Authors: Gurupada Ghorai, Kalyan Ghosh, Abhilash Patra, Prasanjit Samal, Kartik Senapati, Pratap K. Sahoo

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

[92]  arXiv:2403.04434 [pdf, ps, other]

Title: Emergent impervious band crossing in the bulk in topological nodal line semimetal ZrAs$_2$

Authors: A. S. Wadge, K. Zberecki, B. J. Kowalski, D. Jastrzebski, P. K. Tanwar, P. Iwanowski, R. Diduszko, A. Moosarikandy, M. Rosmus, N. Olszowska, A. Wisniewski

Comments: 18 Pages, supplementary material included

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

[93]  arXiv:2403.04470 [pdf, other]

Title: THz-assisted microscopy of silica matrix for biological materials encapsulation: a theoretical and experimental study

Authors: Matteo De Tullio, Giovanni Noviinverardi, Jonathan Houard, Marc Ropitaux, Ivan Blum, Francesco Carnovale, Gianluca Lattanzi, Simone Taioli, Gustav Eriksson, Mats Hulander, Martin Andersson, Angela Vella, Tommaso Morresi

Subjects: Materials Science (cond-mat.mtrl-sci); Atomic and Molecular Clusters (physics.atm-clus)

[94]  arXiv:2403.04587 [pdf, ps, other]

Title: Direct observation of electronic band gap and hot carrier dynamics in GeAs semiconductor

Authors: Zailan Zhang, Jiuxiang Zhang, Gangqiang Zhou, Jiyuan Xu, Xiao Zhang, Hamid Oughaddou, Weiyan Qi, Evangelos Papalazarou, Luca Perfetti, Zhesheng Chen, Azzedine Bendounan, Marino Marsi

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

[95]  arXiv:2403.04741 [pdf, other]

Title: Effects of mechanical stress, chemical potential, and coverage on hydrogen solubility during hydrogen enhanced decohesion of ferritic steel grain boundaries: A first-principles study

Authors: Abril Azocar Guzman, Rebecca Janisch

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

[96]  arXiv:2403.04802 [pdf, other]

Title: A first-principles study and mesoscopic modeling of two-dimensional spin and orbital fluctuations in FeSe

Authors: Abyay Ghosh, Piotr Chudzinski, Myrta Grüning

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

[97]  arXiv:2403.04904 [pdf, other]

Title: Antiferroelectric Nanodomains Stabilized by Chemical Disorder at Anti-phase Boundaries

Authors: Menglin Zhu, Michael Xu, Yu Yun, Liyan Wu, Or Shafir, Colin Gilgenbach, Lane W. Martin, Ilya Grinberg, Jonathan E. Spanier, James M. LeBeau

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

[98]  arXiv:2403.04994 [pdf, ps, other]

Title: Enhanced polarization switching characteristics of HfO2 ultrathin films via acceptor-donor co-doping

Authors: Chao Zhou, Liyang Ma, Yanpeng Feng, Chang-Yang Kuo, Yu-Chieh Ku, Cheng-En Liu, Xianlong Cheng, Jingxuan Li, Yangyang Si, Haoliang Huang, Yan Huang, Hongjian Zhao, Chun-Fu Chang, Sujit Das, Shi Liu, Zuhuang Chen

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

[99]  arXiv:2403.05001 [pdf, other]

Title: Crystal structure, properties and pressure-induced insulator-metal transition in layered kagome chalcogenides

Authors: Hong Du, Yu Zheng, Cuiying Pei, Chi-Ming Yim, Yanpeng Qi, Ruidan Zhong

Comments: 16 pages, 11 figures

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

[100]  arXiv:2403.05119 [pdf, other]

Title: Estimation of Electronic Band Gap Energy From Material Properties Using Machine Learning

Authors: Sagar Prakash Barad, Sajag Kumar, Subhankar Mishra

Comments: 6 pages, IC-CGU 2024

Subjects: Materials Science (cond-mat.mtrl-sci); Machine Learning (cs.LG)