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July 2023

Atomic and Molecular Physics

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Synthesis and characterization of zinc sulfide nanomaterials for removal methylene blue dye from aqueous solution 

Ameer Q. Abed,Aula M. Al Hindawi,Hasan F. Alesary

AIP Conference Proceedings 2830, 020001 (2023)

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Giant magnetostriction in La2CoMnO6 synthesized by microwave irradiation 

M. Manikandan,A. Ghosh,R. Mahendiran

Appl. Phys. Lett. 123, 022403 (2023)

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Sensitivity comparison of two-photon vs three-photon Rydberg electrometry 

Nikunjkumar Prajapati,Narayan Bhusal,Andrew P. Rotunno,Samuel Berweger,Matthew T. Simons,Alexandra B. Artusio-Glimpse,Ying Ju Wang,Eric Bottomley,Haoquan Fan,Christopher L. Holloway

Journal of Applied Physics 134, 023101 (2023)

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Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules 

Denis G. Artiukhin,Ian H. Godtliebsen,Gunnar Schmitz,Ove Christiansen

J. Chem. Phys. 159, 024102 (2023)

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Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures 

Anirban Chandra,Troy Loeffler,Henry Chan,Xiaoyu Wang,G. B. Stephenson,Michael J. Servis,Subramanian K. R. S. Sankaranarayanan

J. Chem. Phys. 159, 024114 (2023)

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Rotational circular dichroism of diamagnetic and paramagnetic molecules. A computational study 

Jiří Zdráhala,Petr Bouř

J. Chem. Phys. 159, 024115 (2023)

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Description of the KLL Auger–Meitner decay spectra of argon following primary and satellite core-ionized states   

Jacob Pedersen,Piero Decleva,Sonia Coriani,Bruno Nunes Cabral Tenorio

J. Chem. Phys. 159, 024121 (2023)

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Designing mechanosensitive molecules from molecular building blocks: A genetic algorithm-based approach   

Matthias Blaschke,Fabian Pauly

J. Chem. Phys. 159, 024126 (2023)

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Application of machine-learning algorithms to predict the transport properties of Mie fluids 

Justinas Šlepavičius,Alessandro Patti,James L. McDonagh,Carlos Avendaño

J. Chem. Phys. 159, 024127 (2023)

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Effects of C–H stretching excitation on the dynamics of the O(1D) + CHD3 → OH/OD + CD3/CHD2 reaction 

Jing Lv,Jiayue Yang,Dong Zhang,Florian Blauert,Bo Jiang,Dongxu Dai,Weiqing Zhang,Guorong Wu,Wenshao Yang,Quan Shuai,Xueming Yang

J. Chem. Phys. 159, 024301 (2023)

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Charge transfer transitions of the –N2 complexes 

Katherine J. Catani,Nastasia I. Bartlett,Michael S. Scholz,Giel Muller,Peter R. Taylor,Evan J. Bieske

J. Chem. Phys. 159, 024308 (2023)

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Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach 

Tárcius N. Ramos,Leandro R. Franco,Daniel L. Silva,Sylvio Canuto

J. Chem. Phys. 159, 024309 (2023)

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Structural transformations in single-crystalline AgPd nanoalloys from multiscale deep potential molecular dynamics 

Longfei Guo,Tao Jin,Shuang Shan,Quan Tang,Zhen Li,Chongyang Wang,Junpeng Wang,Bowei Pan,Qiao Wang,Fuyi Chen

J. Chem. Phys. 159, 024702 (2023)

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Chirality-controlled spin scattering through quantum interference 

Jan M. van Ruitenbeek,Richard Korytár,Ferdinand Evers

J. Chem. Phys. 159, 024710 (2023)

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AL4GAP: Active learning workflow for generating DFT-SCAN accurate machine-learning potentials for combinatorial molten salt mixtures 

Jicheng Guo,Vanessa Woo,David A. Andersson,Nathaniel Hoyt,Mark Williamson,Ian Foster,Chris Benmore,Nicholas E. Jackson,Ganesh Sivaraman

J. Chem. Phys. 159, 024802 (2023)

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Cross-platform hyperparameter optimization for machine learning interatomic potentials   

Daniel F. Thomas du Toit,Volker L. Deringer

J. Chem. Phys. 159, 024803 (2023)

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Shallow donor impurity of bismuth in silicon: Peculiar electrical properties of bismuth-related defects produced by electron irradiation 

Vadim Emtsev,Nikolay Abrosimov,Vitalii Kozlovski,Gagik Oganesyan,Dmitrii Poloskin

Journal of Applied Physics 134, 025103 (2023)

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Computational understanding and prediction of 8-electron half-Heusler compounds with unusual suppressed phonon conduction 

Jianbo Zhu,Liangjun Xie,Zhuoyang Ti,Jingyu Li,Muchun Guo,Xuemei Zhang,Peng-Fei Liu,Lingling Tao,Zihang Liu,Yongsheng Zhang,Jiehe Sui

Applied Physics Reviews 10, 031405 (2023)

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Out-of-plane spin-to-charge conversion at low temperatures in graphene/MoTe2 heterostructures 

Nerea Ontoso,C. K. Safeer,Josep Ingla-Aynés,Franz Herling,Luis E. Hueso,M. Reyes Calvo,Fèlix Casanova

Appl. Phys. Lett. 123, 032401 (2023)

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Voltage-gated field-free spin–orbit torque switching in Pt/Co/Ir/MgO wedged structures 

Yang Li,Xiaotian Zhao,Wei Liu,Jinxiang Wu,Long Liu,Yuhang Song,Jun Ma,Zhidong Zhang

Appl. Phys. Lett. 123, 032403 (2023)

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Efficient charge to spin conversion in iridium oxide thin films 

Biswajit Sahoo,Alex Frano,Eric. E. Fullerton

Appl. Phys. Lett. 123, 032404 (2023)

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Exploding foils with artificial structure as a source of ultraviolet radiation 

I. N. Tilikin,T. A. Shelkovenko,S. A. Pikuz,A. V. Oginov,A. R. Mingaleev,V. M. Romanova,A. E. Ter-Oganesyan

Journal of Applied Physics 134, 033302 (2023)

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Recognition of bovine hemoglobin protein on molecularly imprinted polymer surfaces using nonlinear vibrational spectroscopy 

Shilpi Chaudhary,Harsharan Kaur,Harpreet Kaur,Kailash C. Jena

Appl. Phys. Lett. 123, 033703 (2023)

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Nb3SiT6 (T = S, Se, and Te) monolayers with the highly efficient catalytic performance for lithium–sulfur batteries: Insights from a first-principles study 

Jiguang Du,Gang Jiang

Appl. Phys. Lett. 123, 033901 (2023)

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Multiresolution graph transformers and wavelet positional encoding for learning long-range and hierarchical structures 

Nhat Khang Ngo,Truong Son Hy,Risi Kondor

J. Chem. Phys. 159, 034109 (2023)

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Dopant ionization and efficiency of ion and electron ejection from helium nanodroplets 

Jakob D. Asmussen,Ltaief Ben Ltaief,Keshav Sishodia,Abdul R. Abid,Björn Bastian,Sivarama Krishnan,Henrik B. Pedersen,Marcel Mudrich

J. Chem. Phys. 159, 034301 (2023)

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Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory   

Pablo G. Lustemberg,Chengwu Yang,Yuemin Wang,Christof Wöll,M. Verónica Ganduglia-Pirovano

J. Chem. Phys. 159, 034704 (2023)

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Chirality-induced spin selectivity in functionalized carbon nanotube networks: The role of spin–orbit coupling 

Seyedamin Firouzeh,Sara Illescas-Lopez,Md Anik Hossain,Juan Manuel Cuerva,Luis Álvarez de Cienfuegos,Sandipan Pramanik

J. Chem. Phys. 159, 034708 (2023)

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On the influence of enthalpy of formation on lattice distortion and intrinsic ductility of concentrated refractory alloys 

Sufyan M. Shaikh,B. S. Murty,Satyesh K. Yadav

Journal of Applied Physics 134, 035102 (2023)

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Effect of sodium ions doping on structure and spectral properties of γ-Ce2S3 microcrystals 

Le Wang,Shuqin Zhang,Yinyan Li,Liang Chen,Junjie Zhang,Shiqing Xu,Gongxun Bai

Journal of Applied Physics 134, 035103 (2023)

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A Perspective on multifunctional ferromagnet/organic molecule spinterface 

Esita Pandey,Purbasha Sharangi,Antarjami Sahoo,Swayang Priya Mahanta,Srijani Mallik,Subhankar Bedanta

Appl. Phys. Lett. 123, 040501 (2023)

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Entropons as collective excitations in active solids 

Lorenzo Caprini,Umberto Marini Bettolo Marconi,Andrea Puglisi,Hartmut Löwen

J. Chem. Phys. 159, 041102 (2023)

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Efficient spin–orbit torque switching in perpendicularly magnetized CoFeB facilitated by Fe2O3 underlayer 

Zhuoyi Li,Xianyang Lu,Zhe Zhang,Wenjia Li,TaoTao Li,Jian Zhou,Yu Yan,Ruobai Liu,Jun Du,Ronghua Liu,Xinran Wang,Yao Li,Liang He,Jing Wu,Rong Zhang,Yongbing Xu

Appl. Phys. Lett. 123, 042404 (2023)

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Reconfigurable bandpass filter using Ce-doped YIG ferrites for wideband applications 

Sheetal Yadav,Monika Sharma,Bijoy K. Kuanr

Journal of Applied Physics 134, 043902 (2023)

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Wave packet theory for non-resonant x-ray emission and non-resonant Auger electron emission in molecules   

Viktoriia Savchenko,Michael Odelius,Ambar Banerjee,Nina Ignatova,Alexander Föhlisch,Faris Gelmukhanov,Victor Kimberg

J. Chem. Phys. 159, 044110 (2023)

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Optimization of the tunneling magnetoresistance and spin-valley polarization in complex magnetic silicene structures 

R. Rodríguez-González,L. A. Díaz-Valerio,S. Molina-Valdovinos,I. Rodríguez-Vargas

Journal of Applied Physics 134, 044302 (2023)

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Local optical analysis of InGaN/GaN nanorod LED structures grown on Si(111)   

Johanna Meier,Patrick Häuser,Christian Blumberg,Tim Smola,Werner Prost,Nils Weimann,Gerd Bacher

Journal of Applied Physics 134, 044303 (2023)

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FTIR matrix isolation study of CDF3 in the region of CD stretching vibration: The spectroscopic manifestation of the Fermi resonance effects 

R. E. Asfin,S. M. Melikova,A. V. Domanskaya,K. S. Rutkowski,D. N. Shchepkin

J. Chem. Phys. 159, 044304 (2023)

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The role of dephasing for dark state coupling in a molecular Tavis–Cummings model   

Eric Davidsson,Markus Kowalewski

J. Chem. Phys. 159, 044306 (2023)

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Influence of vibronic interaction of charge transfer excitons in PTB7/BTA-based nonfullerene organic solar cells 

Sumire Ikeyama,Azusa Muraoka

J. Chem. Phys. 159, 044307 (2023)

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The role of charge-exchange processes in probing hydrogen plasma with a heavy ion beam   

Inga Yu Tolstikhina,V. P. Shevelko

Matter and Radiation at Extremes 8, 044403 (2023)

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Stark control of electrons across the molecule–semiconductor interface 

Antonio J. Garzón-Ramírez,Ignacio Franco

J. Chem. Phys. 159, 044704 (2023)

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Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling   

Andreas Röckert,Jolla Kullgren,Daniel Sethio,Lorenzo Agosta,Kersti Hermansson

J. Chem. Phys. 159, 044705 (2023)

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Machine-learned acceleration for molecular dynamics in CASTEP   

Tamás K. Stenczel,Zakariya El-Machachi,Guoda Liepuoniute,Joe D. Morrow,Albert P. Bartók,Matt I. J. Probert,Gábor Csányi,Volker L. Deringer

J. Chem. Phys. 159, 044803 (2023)

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Experimental and simulation studies of surface segregation-limited nitrogen incorporation at the growth front of physical vapor transport-grown 4H-SiC crystals 

Takuto Ota,Shunsuke Asano,Yuta Inoue,Noboru Ohtani

Journal of Applied Physics 134, 045702 (2023)

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The research of stationary plasma thruster operation on krypton 

D. V. Merkurev,V. P. Kim,V. G. Kalyazin,E. A. Shilov

AIP Conference Proceedings 2549, 050007 (2023)

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Plasmonic graphene-based antenna design for terahertz applications 

Farah M. Rasheed,Hussein A. Abdulnabi

AIP Conference Proceedings 2787, 050017 (2023)

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Challenges in porosity characterization of thin films: Cross-evaluation of different techniques 

Mikhail R. Baklanov,Konstantin P. Mogilnikov,Alexey S. Vishnevskiy

Journal of Vacuum Science & Technology A 41, 050802 (2023)

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Comparing sputter rates, depth resolution, and ion yields for different gas cluster ion beams (GCIB): A practical guide to choosing the best GCIB for every application 

N. Sano,A. Bellew,P. Blenkinsopp

Journal of Vacuum Science & Technology A 41, 053204 (2023)

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Synchronization transitions in Kuramoto networks with higher-mode interaction   

Rico Berner,Annie Lu,Igor M. Sokolov

Chaos 33, 073138 (2023)

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