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Quantum Chemistry Topic Alert

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July 2022

Quantum Chemistry

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Linear viscoelasticity of nanocolloidal suspensions from probe rheology molecular simulations 

Dinesh Sundaravadivelu Devarajan, and Rajesh Khare

Journal of Rheology 66, 837 (2022)

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An optoelectronic heterostructure for neuromorphic computing: CdS/V3O5 

C. Adda, H. Navarro, J. Kaur, M.-H. Lee, C. Chen, M. Rozenberg, S. P. Ong, and Ivan K. Schuller

Appl. Phys. Lett. 121, 041901 (2022)

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Correlative study between the local atomic and electronic structures of amorphous carbon materials via 4D-STEM and STEM-EELS 

Jinseok Ryu, Sangmin Lee, Sungtae Kim, Young-Chang Joo, and Miyoung Kim

Appl. Phys. Lett. 121, 042101 (2022)

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Electron mobility in ordered β-(AlxGa1−x)2O3 alloys from first-principles   

Xinlei Duan, Tianyu Wang, Zhiwei Fu, Jia-Yue Yang, and Linhua Liu

Appl. Phys. Lett. 121, 042103 (2022)

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Measurements and numerical calculations of thermal conductivity to evaluate the quality of β-gallium oxide thin films grown on sapphire and silicon carbide by molecular beam epitaxy 

Diego Vaca, Matthew Barry, Luke Yates, Neeraj Nepal, D. Scott Katzer, Brian P. Downey, Virginia Wheeler, Luke Nyakiti, David J. Meyer, Samuel Graham, and Satish Kumar

Appl. Phys. Lett. 121, 042107 (2022)

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Donor doping of corundum (AlxGa1−x)2O3 

Darshana Wickramaratne, Joel B. Varley, and John L. Lyons

Appl. Phys. Lett. 121, 042110 (2022)

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Cross-scale investigation of the size effect on thermal conductivity of monolayer graphene 

Jie Wang, Chao Li, Yunhe Sheng, Yu Su, and Lina Yang

Appl. Phys. Lett. 121, 042202 (2022)

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Phonon properties of biphenylene monolayer by first-principles calculations 

Ke Wang, Kai Ren, Dingbo Zhang, Yuan Cheng, and Gang Zhang

Appl. Phys. Lett. 121, 042203 (2022)

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Electron mediation enhanced magnetocrystalline anisotropy and Curie temperature of FeCl2 monolayer by an electride substrate   

Rui Li, Jiawei Jiang, Haili Bai, and Wenbo Mi

Appl. Phys. Lett. 121, 042403 (2022)

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Large tunneling magnetoresistance and low resistance-area product in CrSe2/NiCl2/CrSe2 van der Waals magnetic tunnel junction   

Xiaoyan Guo, Yu Zhu, Baishun Yang, Xiaolin Zhang, Xiufeng Han, and Yu Yan

Appl. Phys. Lett. 121, 042404 (2022)

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A Landau–Devonshire analysis of strain effects on ferroelectric Al1−xScxN     

Keisuke Yazawa, Andriy Zakutayev, and Geoff L. Brennecka

Appl. Phys. Lett. 121, 042902 (2022)

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Charge transport behaviors in a multi-gated WSe2/MoS2 heterojunction 

Maolong Yang, Yao Lu, Qiancui Zhang, Zhao Han, Yichi Zhang, Maliang Liu, Ningning Zhang, Huiyong Hu, and Liming Wang

Appl. Phys. Lett. 121, 043501 (2022)

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High thermoelectric performance induced by strong anharmonic effects in monolayer (PbX)2 (X = S, Se, Te) 

Pin-Zhen Jia, Zhong-Xiang Xie, Yuan-Xiang Deng, Yong Zhang, Li-Ming Tang, Wu-Xing Zhou, and Ke-Qiu Chen

Appl. Phys. Lett. 121, 043901 (2022)

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Machine learning estimation of magnetic parameters and classification of magnetic vortex states   

Nasir Mehmood, Jianbo Wang, and Qingfang Liu

Journal of Applied Physics 132, 043904 (2022)

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Planar Hall study in molecular exchange-bias system 

Suman Mundlia, and Karthik V. Raman

Journal of Applied Physics 132, 043905 (2022)

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Observation of intermolecular Coulombic decay and shake-up satellites in liquid ammonia   

Hanns Christian Schewe, Eva Muchová, Michal Belina, Tillmann Buttersack, Dominik Stemer, Robert Seidel, Stephan Thürmer, Petr Slavíček, and Bernd Winter

Structural Dynamics 9, 044901 (2022)

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Giant room temperature magnetocaloric response in a (MnNiSi)1−x(FeNiGa)x system 

Subrata Ghosh, Saheli Samanta, J. Sridhar Mohanty, Jayee Sinha, and Kalyan Mandal

Journal of Applied Physics 132, 045001 (2022)

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Electronic structure of silver chalcogenides investigated by hard x-ray photoemission spectroscopy and density functional theory calculations 

K. Sato, K. Hirata, S. Singh, K. Kuga, F. Ogawa, M. Matsunami, and T. Takeuchi

Journal of Applied Physics 132, 045104 (2022)

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A comparable study of defect diffusion and recombination in Si and GaN 

Xiang-Ru Han, Yang Li, Pei Li, Xiao-Lan Yan, Xiao-Qiang Wu, and Bing Huang

Journal of Applied Physics 132, 045701 (2022)

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Study on jet characteristics of a dual-structure converter oxygen lance based on hydrodynamics   

Hongbin Jia, Yanxin Li, Kun Liu, and Lianghua Feng

AIP Advances 12, 075026 (2022)

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The deuteron NMR Hahn echo decay in polyethylene oxide melts   

K. Lindt, C. Mattea, S. Stapf, I. K. Ostrovskaya, and N. F. Fatkullin

AIP Advances 12, 075219 (2022)

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Growth of MoS2 films: High-quality monolayered and multilayered material   

Shrouq H. Aleithan, Kawther Al-Amer, Zakia Alhashem, Nada A. Alati, Zainab H. Alabbad, and Khan Alam

AIP Advances 12, 075220 (2022)

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