Teori för oordnade material

Graf teori för oordnade material.

Publikationer

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, Artikel 155301 (Artikel i tidskrift) Vidare till 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, Artikel 105008 (Artikel i tidskrift) Vidare till 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, s. 18161-18171 (Artikel i tidskrift) Vidare till 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, Artikel 2400421 (Artikel i tidskrift) Vidare till 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 (Artikel i tidskrift) Vidare till 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, Artikel 045903 (Artikel i tidskrift) Vidare till 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 (Artikel i tidskrift) Vidare till 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 (Artikel i tidskrift) Vidare till 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 (Artikel i tidskrift) Vidare till 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, Artikel 67 (Artikel i tidskrift) Vidare till DOI

Kontakt

Organisation