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Theory of disordered materials

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Publications

2024

Niraj Kumar Singh, Victor Hjort, Sanath Kumar Honnali, Davide Gambino, Arnaud Le Febvrier, Ganpati Ramanath, Björn Alling, Per Eklund (2024) Effects of W alloying on the electronic structure, phase stability, and thermoelectric power factor in epitaxial CrN thin films Journal of Applied Physics, Vol. 136, Article 155301 (Article in journal) Continue to DOI
Raphael Unterrainer, Davide Gambino, Florian Semper, Alexander Bodenseher, Francesco Laviano, Daniele Torsello, David X. Fischer, Michael Eisterer (2024) Responsibility of small defects for the low radiation tolerance of coated conductors Superconductors Science and Technology, Vol. 37, Article 105008 (Article in journal) Continue to DOI
Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel (2024) Synthesis of LaCN3, TbCN3, CeCN5, and TbCN5 Polycarbonitrides at Megabar Pressures Journal of the American Chemical Society, Vol. 146, p. 18161-18171 (Article in journal) Continue to DOI
Annop Ektarawong, Chayanon Atthapak, Björn Alling (2024) Role of Al Vacancies in Thermodynamic Stability and Elastic Properties of AlB2-type (Ta,Al)B2: A First-Principles Study Advanced Theory and Simulations, Vol. 7, Article 2400421 (Article in journal) Continue to DOI
Barbara Osinger, Luis Casillas-Trujillo, Rebecka Lindblad, Björn Alling, Weine Olovsson, Igor Abrikosov, Erik Lewin (2024) Charge transfer effects in (HfNbTiVZr)C-Shown by ab initio calculations and X-ray photoelectron spectroscopy Journal of The American Ceramic Society (Article in journal) Continue to DOI
Boburjon Mukhamedov, Björn Alling (2024) Suggesting the high-pressure route to metastable high entropy alloys with ultra-large lattice distortions Journal of Applied Physics, Vol. 136, Article 045903 (Article in journal) Continue to DOI
Akun Liang, Israel Osmond, Georg Krach, Lan-Ting Shi, Lukas Bruening, Umbertoluca Ranieri, James Spender, Ferenc Tasnadi, Bernhard Massani, Callum R. Stevens, Ryan Stewart McWilliams, Eleanor Lawrence Bright, Nico Giordano, Samuel Gallego-Parra, Yuqing Yin, Andrey Aslandukov, Fariia Iasmin Akbar, Eugene Gregoryanz, Andrew Huxley, Miriam Pena-Alvarez, Jian-Guo Si, Wolfgang Schnick, Maxim Bykov, Florian Trybel, Dominique Laniel (2024) High-Pressure Synthesis of Ultra-Incompressible, Hard and Superconducting Tungsten Nitrides Advanced Functional Materials (Article in journal) Continue to DOI
Chayanon Atthapak, Annop Ektarawong, Teerachote Pakornchote, Björn Alling, Thiti Bovornratanaraks (2024) Thermodynamic Stability Prediction of Triple Transition-Metal (Ti-Mo-V)3C2 MXenes via Cluster Correlation-Based Machine Learning Advanced Theory and Simulations (Article in journal) Continue to DOI
Siriwimol Somdee, Meena Rittiruam, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Annop Ektarawong, Soorathep Kheawhom, Björn Alling, Piyasan Praserthdam, Supareak Praserthdam (2024) First-Principles Investigations on Effects of B-Site Substitution (B-Mn, Fe, and Co) on La-Based Perovskite Oxides As Bifunctional Electrocatalysts for Rechargeable Metal-Air Batteries Advanced Theory and Simulations (Article in journal) Continue to DOI
Shuyao Lin, Luis Casillas-Trujillo, Ferenc Tasnadi, Lars Hultman, Paul H. Mayrhofer, Davide Sangiovanni, Nikola Koutna (2024) Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics npj Computational Materials, Vol. 10, Article 67 (Article in journal) Continue to DOI

Contact

Principal Investigator

Photo of Björn Alling

Björn Alling

Associate Professor, Docent

Coworkers

Photo of Björn Alling
Björn Alling
Associate Professor, Docent
Marian Brännvall
PhD student
Photo of Amanda Ehn
Amanda Ehn
PhD student
Photo of Davide Gambino
Davide Gambino
Postdoc
Photo of Sheuly Ghosh
Sheuly Ghosh
Postdoc
Photo of Santiago Gomez Jaramillo
Santiago Gomez Jaramillo
PhD student
Photo of Nityasagar Jena
Nityasagar Jena
Postdoc
Photo of Ashis Kundu
Ashis Kundu
Postdoc
Boburjon Mukhamedov
Postdoc
Joakim Stenborg
PhD student
Photo of Ferenc Tasnadi
Ferenc Tasnadi
Associate Professor, Head of Unit

Organisation

teaserbild teoretisk fysik

Theoretical Physics (TEOFY)

The research in the division of Theoretical Physics is focused on analyzing and explaining existing experimental observations, makeing a systematics of the generated knowledge, and using the knowledge for novel discoveries.

Department of Physics, Chemistry and Biology (IFM)

Undergraduate teaching and research in the areas of biology, chemistry, materials and applied physics and theory and modelling are conducted at this department.

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