Ab initio teori och energimaterial

Nimrod Benshalom, Maor Asher, Remy Jouclas, Roman Korobko, Guillaume Schweicher, Jie Liu, Yves Geerts, Olle Hellman, Omer Yaffe (2023) Phonon-Phonon Interactions in the Polarization Dependence of Raman Scattering The Journal of Physical Chemistry C

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Tomas Fiantok, Nikola Koutna, Davide Sangiovanni, Marian Mikula (2023) Ceramic transition metal diboride superlattices with improved ductility and fracture toughness screened by ab initio calculations Scientific Reports, Vol. 13, Artikel 12835

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Irea Mosquera-Lois, Sean R. Kavanagh, Johan Klarbring, Kasper Tolborg, Aron Walsh (2023) Imperfections are not 0 K: free energy of point defects in crystals Chemical Society Reviews

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Erik Ekström, Simon Hurand, Arnaud Le Febvrier, Anna Elsukova, Per O A Persson, Biplab Paul, Fredrik Eriksson, Geetu Sharma, Oleksandr Voznyy, Davide Sangiovanni, Ganpati Ramanath, Per Eklund (2023) Microstructure control and property switching in stress-free van der Waals epitaxial VO2 films on mica Materials & design, Vol. 229, Artikel 111864

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Olga Yu. Vekilova, Doreen. C. C. Beyer, Shrikant Bhat, Robert Farla, Volodymyr Baran, Sergey Simak, Holger Kohlmann, Ulrich Haussermann, Kristina Spektor (2023) Formation and Polymorphism of Semiconducting K2SiH6 and Strategy for Metallization Inorganic Chemistry, Vol. 62, s. 8093-8100

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Fuxiang Ji, Johan Klarbring, Bin Zhang, Feng Wang, Linqin Wang, Xiaohe Miao, Weihua Ning, Muyi Zhang, Xinyi Cai, Babak Bakhit, Martin Magnuson, Xiaoming Ren, Licheng Sun, Mats Fahlman, Irina A Buyanova, Weimin Chen, Sergei I Simak, Igor A. Abrikosov, Feng Gao (2023) Remarkable Thermochromism in the Double Perovskite Cs₂NaFeCl₆ Advanced Optical Materials, Artikel 2301102

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Ganpati Ramanath, Collin Rowe, Geetu Sharma, Venkat Venkataramani, Johan G. Alauzun, Ravishankar Sundararaman, Pawel Keblinski, Davide Sangiovanni, Per Eklund, Henrik Pedersen (2023) Engineering inorganic interfaces using molecular nanolayers Applied Physics Letters, Vol. 122, Artikel 260502

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Gabriel Krenzer, Johan Klarbring, Kasper Tolborg, Hugo Rossignol, Andrew R. McCluskey, Benjamin J. Morgan, Aron Walsh (2023) Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields Chemistry of Materials, Vol. 35, s. 6133-6140

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Oleksandr V. Pshyk, Xiao Li, Ivan Petrov, Davide Giuseppe Sangiovanni, Justinas Palisaitis, Lars Hultman, Grzegorz Greczynski (2023) Discovery of Guinier-Preston zone hardening in refractory nitride ceramics Acta Materialia, Vol. 255, Artikel 119105

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Yuqing Yin, Alena Aslandukova, Nityasagar Jena, Florian Trybel, Igor Abrikosov, Bjoern Winkler, Saiana Khandarkhaeva, Timofey Fedotenko, Elena Bykova, Dominique Laniel, Maxim Bykov, Andrey Aslandukov, Fariia I. Akbar, Konstantin Glazyrin, Gaston Garbarino, Carlotta Giacobbe, Eleanor L. Bright, Zhitai Jia, Leonid Dubrovinsky, Natalia Doubrovinckaia (2023) Unraveling the Bonding Complexity of Polyhalogen Anions: High-Pressure Synthesis of Unpredicted Sodium Chlorides Na2Cl3 and Na4Cl5 and Bromide Na4Br5 JACS Au

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