Functional Materials unit

SiNx deposited with intermittent bias
SiNx deposited with intermittent bias

Graphene-metal interfaces: Equilibrium geometries of C54H18 and graphene adsorbed on Au(111) (upper) and Cu(111) (lower). (Courtesy to Paulo V. C. Medeiros, G. K. Gueorguiev, and S. Stafström) Graphene-metal interfaces: Equilibrium geometries of C54H18 and graphene adsorbed on Au(111) (upper) and Cu(111) (lower). (Courtesy to Paulo V. C. Medeiros, G. K. Gueorguiev, and S. Stafström) "CARBON 81 (2015) 620 – 628"The functional materials group investigates the properties of thin films both from a fundamental research point of view as well as from applications.  Our materials palette consists of ceramic materials such as silicon nitride and alloys thereof, hydrides, refractory boride, carbide and nitride coatings and solid fullerene-like compounds. For thin film synthesis, we apply Physical Vapor Deposition (PVD) and the techniques: High Power Impulse Magnetron Sputtering (HiPIMS), Mid Frequency Magnetron Sputtering (MFMS), direct current magnetron sputtering (DCMS). We focus on reactive sputtering processes, using innovative precursors from Chemical Vapor Deposition (CVD) and designed process conditions to tailor our thin film materials.

SiNx deposited with intermittent bias

Our theoretical tools include ab-initio methods for introducing families of inherently nanostructured compounds together with quantitative recipes for how to approach their synthesis. An original flexible modelling concept - the Synthetic Growth Concept (SGC) is employed to predict the structure formation and growth evolution of wide variety of nanostructured materials. The SGC is the theoretical tool behind establishing the Fullerene-like (FL) compounds as an entirely new class of materials. Method development is continuously conducted, e.g., advancements at DFT level, including Time-dependent DFT. Such novel theoretical approaches are currently successfully applied for assessing the synthesis feasibility and evaluating the properties of low-dimensional and layered materials and interfaces based upon III-Nitrides, transition metal silicides and graphene among others.

ZrB2 deposited by DCMS.

SixOyNz deposited by HiPIMS.



Gabriel Kofi Nzulu, Hans Högberg, Per Eklund, Lars Hultman, Prosper M. Nude, Abu Yaya, Martin Magnuson (2024) Chemical Reactivity and Alteration of Pyrite Mineral in the Kubi Gold Concession in Ghana Mining, Metallurgy & Exploration Continue to DOI
Edward Ferraz de Almeida Jr, Anelia Kakanakova-Gueorguieva, Gueorgui Kostov Gueorguiev (2024) On Decorating a Honeycomb AlN Monolayer with Hydrogen and Fluorine Atoms: Ab Initio and Experimental Aspects Materials, Vol. 17, Article 616 Continue to DOI
Elena Naumovska, Gabriel Kofi Nzulu, Laura Mazzei, Arnaud Le Febvrier, Kristina Komander, Martin Magnuson, Max Wolff, Per Eklund, Maths Karlsson (2024) Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy Vibrational Spectroscopy, Vol. 130, Article 103622 Continue to DOI


Po-Han Huang, Miku Laakso, Pierre Edinger, Oliver Hartwig, Georg S. Duesberg, Lee-Lun Lai, Joachim Mayer, Johan Nyman, Carlos Errando-Herranz, Goeran Stemme, Kristinn B. Gylfason, Frank Niklaus (2023) Three-dimensional printing of silica glass with sub-micrometer resolution Nature Communications, Vol. 14, Article 3305 Continue to DOI
Susmita Chowdhury, Victor Hjort, Rui Shu, Grzegorz Greczynski, Arnaud Le Febvrier, Per Eklund, Martin Magnuson (2023) Thermoelectric properties and electronic structure of Cr(Mo,V)Nx thin films studied by synchrotron and lab-based x-ray spectroscopy Physical Review B, Vol. 108, Article 205134 Continue to DOI
Lars-Åke Näslund, Martin Magnuson (2023) The Origin of Ti 1s XANES Main Edge Shifts and EXAFS Oscillations in the Energy Storage Materials Ti2CTx and Ti3C2T x MXenes 2D Materials, Vol. 10, Article 035024 Continue to DOI
Johan Nyman, Muhammad Junaid, Niklas Sarius, Jens Birch, Sören Kahl, Hans Högberg (2023) Substrate bias effects on cathodic arc deposited Cr coatings Results in Materials, Vol. 19, Article 100450 Continue to DOI
Lina Rogström, Maiara Moreno, J. M. Andersson, M. P. Johansson-Jöesaar, Magnus Odén, K. Klementiev, Lars-Åke Näslund, Martin Magnuson (2023) Structural changes in Ti1-xAlxN coatings during turning: A XANES and EXAFS study of worn tools Applied Surface Science, Vol. 612, Article 155907 Continue to DOI
Manoel Alves Machado Filho, Ching-Lien Hsiao, Renato Batista dos Santos, Lars Hultman, Jens Birch, Gueorgui Kostov Gueorguiev (2023) Self-Induced Core-Shell InAlN Nanorods: Formation and Stability Unraveled by Ab Initio Simulations ACS Nanoscience Au, Vol. 3, p. 84-93 Continue to DOI
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, Article 2301102 Continue to DOI