Clas Persson

• Li, Yang; Milton, Kimball A.; Brevik, Iver Håkon; Malyi, Alexandr I.; Thiyam, Priyandarshini & Persson, Clas [Show all 8 contributors for this article] (2022). Premelting and formation of ice due to Casimir-Lifshitz interactions: Impact of improved parameterization for materials. Physical review B (PRB). ISSN 2469-9950. 105(1). doi: 10.1103/PhysRevB.105.014203.
• Assmann, Nicole; Persson, Clas; Kuznetsov, Andrej & Monakhov, Eduard (2021). Fine structure in electronic transitions attributed to nitrogen donor in silicon carbide. Applied Physics Letters. ISSN 0003-6951. 119(26). doi: 10.1063/5.0074046. Full text in Research Archive
• Sopiha, Kostiantyn; Malyi, Oleksandr; Persson, Clas & Wu, Ping (2021). Chemistry of Oxygen Ionosorption on SnO2 Surfaces. ACS Applied Materials & Interfaces. ISSN 1944-8244. 13(28), p. 33664–33676. doi: 10.1021/acsami.1c08236.
• Oliveira, Camila; Ribeiro Chaves, Claudilene; Bargiela, Pascal; da Gracia Carneiro da Ro, Maria; Ferreira da Silva, Antonio & Chubaci, José Fernando Diniz [Show all 9 contributors for this article] (2021). Surface studies of the chemical environment in gold nanorods supported by X-ray photoelectron spectroscopy (XPS) and ab initio calculations. Journal of Materials Research and Technology (JMR&T). ISSN 2238-7854. 15, p. 768–776. doi: 10.1016/j.jmrt.2021.08.059. Full text in Research Archive
• Iordanidou, Konstantina & Persson, Clas (2021). Stoner ferromagnetism in hole-doped CuM(IIIA)2 with M(IIIA) = Al, Ga, and In. ACS Applied Materials & Interfaces. ISSN 1944-8244. 13(25), p. 29770–29779. doi: 10.1021/acsami.1c00403. Full text in Research Archive
• Boström, Mathias; Esteso, Victoria; Fiedler, Johannes; Brevik, Iver Håkon; Persson, Clas & Buhmann, Stefan Yoshi [Show all 9 contributors for this article] (2021). Self-preserving ice layers on CO2 clathrate particles: Implications for Enceladus, Pluto, and similar ocean worlds. Astronomy and Astrophysics (A & A). ISSN 0004-6361. 650. doi: 10.1051/0004-6361/202040181. Full text in Research Archive
• Gao, Jiacheng; Wu, Quansheng; Persson, Clas & Wang, Zhijun (2021). IRVSP: to obtain irreducible representations of electronic states in the VASP. Computer Physics Communications. ISSN 0010-4655. 261. doi: 10.1016/j.cpc.2020.107760.
• Huang, Dan; Ding, Lijie; Xue, Yang; Guo, Jin; Zhao, Yu-Jun & Persson, Clas (2021). Interface of Sn-doped AgAlTe2 and LiInTe2: A theoretical model of tandem intermediate band absorber . Applied Physics Letters. ISSN 0003-6951. 118(4). doi: 10.1063/5.0034852.
• Aboulfadl, Hisham; Sopiha, Kostiantyn; Keller, J; Larsen, J; Scragg, Jonathan & Persson, Clas [Show all 8 contributors for this article] (2021). Alkali dispersion in (Ag,Cu)(In,Ga)Se2 thin film solar cells – Insight from theory and experiment. ACS Applied Materials & Interfaces. ISSN 1944-8244. 13(6), p. 7188–7199. doi: 10.1021/acsami.0c20539. Full text in Research Archive
• Iordanidou, Konstantina & Persson, Clas (2021). Optoelectronic properties of coexisting InGaZnO4 structures. Materials Science in Semiconductor Processing. ISSN 1369-8001. 121. doi: 10.1016/j.mssp.2020.105297. Full text in Research Archive
• Sopiha, Kostiantyn; Larsen, J; Donzel-Gargand, Olivier; Khavari, F; Keller, J & Edoff, Marika [Show all 9 contributors for this article] (2020). Thermodynamic stability, phase separation and Ag grading in (Ag,Cu)(In,Ga)Se2 solar absorbers. Journal of Materials Chemistry A. ISSN 2050-7488. 8, p. 8740–8751. doi: 10.1039/d0ta00363h. Full text in Research Archive
• Grini, Sigbjørn; Aboulfadl, Hisham; Ross, Nils; Persson, Clas; Platzer-Björkman, Charlotte & Thuvander, Mattias [Show all 7 contributors for this article] (2020). Dynamic Impurity Redistributions in Kesterite Absorbers. Physica status solidi (b). ISSN 0370-1972. 257(6). doi: 10.1002/pssb.202000062. Full text in Research Archive
• Fiedler, Johannes; Berland, Kristian; Spallek, F.; Brevik, Iver Håkon; Persson, Clas & Buhmann, S. Y. [Show all 7 contributors for this article] (2020). Nontrivial retardation effects in dispersion forces: From anomalous distance dependence to novel traps. Physical review B (PRB). ISSN 2469-9950. 101(23). doi: 10.1103/PhysRevB.101.235424. Show summary

  In the study of dispersion forces, nonretarded, retarded, and thermal asymptotes with their distinct scaling laws are regarded as cornerstone results governing interactions at different separations. Here, we show that when particles interact in a medium, the influence of retardation is qualitatively different, making it necessary to consider the nonmonotonous potential in full. We discuss different regimes for several cases and find an anomalous behavior of the retarded asymptote. It can change sign and lead to a trapping potential.

• Esteso, V.; Carretero-Palacios, S.; MacDowell, L. G.; Fiedler, Johannes; Parsons, D. F. & Spallek, F. [Show all 11 contributors for this article] (2020). Premelting of ice adsorbed on a rock surface. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 22, p. 11362–11373. doi: 10.1039/c9cp06836h. Show summary

  Considering ice-premelting on a quartz rock surface (i.e. silica) we calculate the Lifshitz excess pressures on a four layer system with rock-ice-water-air. Our calculations give excess pressures across (1) ice layer, (2) water layer, and (3) ice-water interface for different ice and water thicknesses. We analyse equilibrium conditions where the different excess pressures take zero value, stabilised in part by repulsive Lifshitz interactions. In contrast to previous investigations which considered varying thickness of only one layer (ice or water), here we present theory allowing for simultaneous variation of both layer thicknesses for a given total thickness of ice and water, this allows multiple alternative equilibrium solutions. Consequently, the final state of a system will depend on initial conditions and may explain variation of experimental measurements of the thicknesses of water and ice layers.

• Gunnæs, Anette Eleonora; Tofan, Raluca; Berland, Kristian; Gorantla, Sandeep Madhukar; Storaas, Thomas Aarflot & Desissa, Temesgen Debelo [Show all 12 contributors for this article] (2020). Chemical stability of Ca3Co4−xO9+δ/CaMnO3−δ p–n junction for oxide-based thermoelectric generators. RSC Advances. ISSN 2046-2069. 10(9), p. 5026–5031. doi: 10.1039/c9ra07159h. Full text in Research Archive
• Fiedler, Johannes; Boström, Mathias; Persson, Clas; Brevik, Iver Håkon; Corkery, R. & Buhmann, S. Y. [Show all 7 contributors for this article] (2020). Full-Spectrum High-Resolution Modeling of the Dielectric Function of Water. Journal of Physical Chemistry B. ISSN 1520-6106. 124, p. 3103–3113. doi: 10.1021/acs.jpcb.0c00410. Full text in Research Archive
• Fiedler, Johannes; Persson, Clas & Buhmann, Stefan Yoshi (2020). Spectroscopy on nanoparticles without light. Physical Review Applied. ISSN 2331-7019. 13. doi: 10.1103/PhysRevApplied.13.014025. Full text in Research Archive
• Keller, Jan; Sopiha, Kostiantyn; Stolt, Olof; Stolt, Lars; Persson, Clas & Scragg, Jonathan [Show all 8 contributors for this article] (2020). Wide-gap (Ag,Cu)(In,Ga)Se2 solar cells with different buffer materials - A path to a better heterojunction. Progress in Photovoltaics. ISSN 1062-7995. doi: 10.1002/pip.3232.
• Iordanidou, Konstantina; Houssa, Michel & Persson, Clas (2020). Carrier-mediated ferromagnetism in two-dimensional PtS2. RSC Advances. ISSN 2046-2069. 10(2), p. 952–957 . doi: 10.1039/c9ra09756b. Full text in Research Archive
• Berland, Kristian; Shulumba, Nina; Hellman, Olle; Persson, Clas & Løvvik, Ole Martin (2019). Thermoelectric transport trends in group 4 half-Heusler alloys. Journal of Applied Physics. ISSN 0021-8979. 126(14), p. 1–15. doi: 10.1063/1.5117288. Full text in Research Archive
• Thiyam, Priyadarshini; Parashar, Prachi; Shajesh, Kuloth Vayalombron; Malyi, Oleksandr; Boström, Mathias & Milton, K. A. [Show all 9 contributors for this article] (2019). Effect of excess charge carriers and fluid medium on the magnitude and sign of the Casimir-Lifshitz torque . Physical review B (PRB). ISSN 2469-9950. 100(20). doi: 10.1103/PhysRevB.100.205403. Full text in Research Archive
• Olsen, Vegard Skiftestad; Baldissera, Gustavo; Zimmermann, Christian; Granerød, Cecilie Skjold; Bazioti, Kalliopi & Galeckas, Augustinas [Show all 11 contributors for this article] (2019). Evidence of defect band mechanism responsible for band gap evolution in (ZnO)1−x(GaN)x alloys. Physical review B (PRB). ISSN 2469-9950. 100(16). doi: 10.1103/PhysRevB.100.165201. Full text in Research Archive
• Sopiha, Kostiantyn; Malyi, Oleksandr & Persson, Clas (2019). First-principles mapping of the electronic properties of two-dimensional materials for strain-tunable nanoelectronics. ACS Applied Nano Materials. ISSN 2574-0970. 2(9), p. 5614–5624. doi: 10.1021/acsanm.9b01164.
• Zhang, Yanyan; Tang, Yuxin; Deng, Jiyang; Leow, Wan Ru; Xia, Huarong & Zhu, Zhiqiang [Show all 13 contributors for this article] (2019). Correlating the Peukert's Constant with Phase Composition of Electrode Materials in Fast Lithiation Processes. ACS Materials Letters. ISSN 2639-4979. 1(5), p. 519–525. doi: 10.1021/acsmaterialslett.9b00320.
• Hood, Samantha N; Walsh, Aron; Persson, Clas; Iordanidou, Konstantina; Huang, Dan & Kumar, Mukesh [Show all 10 contributors for this article] (2019). Status of materials and device modelling for kesterite solar cells. Journal of Physics: Energy. ISSN 2515-7655. 1. doi: 10.1088/2515-7655/ab2dda. Full text in Research Archive
• Fiedler, Johannes; Parsons, Drew F.; Burger, Friedrich A.; Thiyam, Priydarshini; Walter, Michael & Brevik, Iver Håkon [Show all 9 contributors for this article] (2019). Impact of effective polarisability models on the near-field interaction of dissolved greenhouse gases at ice and air interfaces. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 21(38), p. 21296–21304. doi: 10.1039/c9cp03165k. Show summary

  We present a theory for Casimir–Polder forces acting on greenhouse gas molecules dissolved in a thin water film. Such a nano-sized film has been predicted to arise on the surface of melting ice as stabilized by repulsive Lifshitz forces. We show that different models for the effective polarisability of greenhouse gas molecules in water lead to different predictions for how Casimir–Polder forces influence their extractions from the melting ice surface. For instance, in the most intricate model of a finite-sized molecule inside a cavity, dispersion potentials push the methane molecules towards the ice surface whereas the oxygen typically will be attracted towards the closest interface (ice or air). Previous models for effective polarisability had suggested that O2 would also be pushed towards the ice surface. Release of greenhouse gas molecules from the surface of melting ice can potentially influence climate greenhouse effects. With this model, we show that some molecules cannot escape from water as single molecules. Due to the contradiction of the results and the escape dynamics of gases from water, we extended the models to describe bubble filled with several molecules increasing their buoyancy force.

• Fiedler, Johannes; Spallek, Fabian; Thiyam, Priyadarshini; Persson, Clas; Boström, Mathias & Walter, Michael [Show all 7 contributors for this article] (2019). Dispersion forces in inhomogeneous planarly layered media: A one-dimensional model for effective polarizabilities. Physical Review A (PRA). ISSN 2469-9926. 99. doi: 10.1103/PhysRevA.99.062512. Full text in Research Archive
• Chen, Rongzhen; Zamulko, Sergii; Huang, Dan & Persson, Clas (2019). Theoretical analyses of copper-based solar cell materials for the next generation of photovoltaics, Solar energy capture materials. Royal Society of Chemistry. ISSN 978-1-78801-107-5. p. 193–240. doi: https%3A/doi.org/10.1039/9781788013512. Full text in Research Archive
• Malyi, Oleksandr; Yeung, M. .T; Poeppelmeier, K. R.; Persson, Clas & Zunger, A (2019). Spontaneous Non-stoichiometry and ordering in Degenerate but Gapped Transparent Conductors. Matter. ISSN 2590-2393. 1(1), p. 280–294. doi: 10.1016/j.matt.2019.05.014.
• Persson, Clas (2019). Copper-based chalcogenides for ultrathin inorganic solar cells. IEEE International Conference on Nanotechnology. ISSN 1944-9399. 2018-July. doi: 10.1109/NANO.2018.8626280.
• Grini, Sigbjørn; Sopiha, Kostiantyn; Ross, Nils; Liu, Xin; Bjørheim, Tor Svendsen & Platzer-Björkman, Charlotte [Show all 8 contributors for this article] (2019). Strong Interplay between Sodium and Oxygen in Kesterite Absorbers: Complex Formation, Incorporation, and Tailoring Depth Distributions. Advanced Energy Materials. ISSN 1614-6832. 9(27), p. 1–9. doi: 10.1002/aenm.201900740. Full text in Research Archive
• Guzik, Matylda N.; Schrade, Matthias; Tofan, Raluca; Almeida Carvalho, Patricia; Berland, Kristian & Sørby, Magnus Helgerud [Show all 9 contributors for this article] (2019). Long- and short-range structures of Ti1-xHfxNi1.0/1.1Sn half-Heusler compounds and their electric transport properties. CrysteEngComm. ISSN 1466-8033. 21, p. 3330–3342. doi: 10.1039/c9ce00046a. Full text in Research Archive
• Olsen, Vegard Skiftestad; Bazioti, Kalliopi; Baldissera, Gustavo; Azarov, Alexander; Prytz, Øystein & Persson, Clas [Show all 9 contributors for this article] (2019). Effects of Substrate and Post-Deposition Annealing on Structural and Optical Properties of (ZnO)1-x(GaN)x Films. Physica status solidi (b). ISSN 0370-1972. 256(6). doi: 10.1002/pssb.201800529. Full text in Research Archive
• Boström, Mathias; Corkery, Robert W.; Lima, Eduardo R. A.; Malyi, Oleksandr; Buhmann, Stefan Yoshi & Persson, Clas [Show all 9 contributors for this article] (2019). Dispersion Forces Stabilize Ice Coatings at Certain Gas Hydrate Interfaces That Prevent Water Wetting. ACS Earth and Space Chemistry. ISSN 2472-3452. 3, p. 1014–1022. doi: 10.1021/acsearthspacechem.9b00019.
• Malyi, Oleksandr; Sopiha, Kostiantyn & Persson, Clas (2019). Energy, phonon, and dynamic stability criteria of two-dimensional materials. ACS Applied Materials & Interfaces. ISSN 1944-8244. doi: 10.1021/acsami.9b01261. Full text in Research Archive

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• Ushasree, P. M.; Singh, Amita; Tian, Haining; Unger, Eva L.; Chen, Rongzhen & Zamulko, Sergii [Show all 9 contributors for this article] (2019). Solar energy capture materials. Royal Society of Chemistry. ISBN 978-1-78801-107-5. 245 p.

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• Mendonça, Bianca; Chubaci, J. f. d.; Matsuoka, M.; Ferreira da Silva, Antonio; Zambom, Luis & Mansano, Ronaldo [Show all 8 contributors for this article] (2021). Dependence of the electronic and optical properties of thin film TiO2 film with oxygen partial pressure.
• Sopiha, Kostiantyn; Larsen, Jes; Keller, Jan; Edoff, Marika; Platzer-Björkman, Charlotte & Persson, Clas [Show all 7 contributors for this article] (2020). First-principles analysis of band offsets, phase stability, and alkali incorporation in (Ag,Cu)(In,Ga)Se2 solar cells.
• Sopiha, Kostiantyn; Grini, Sigbjørn; Platzer-Björkman, Charlotte; Vines, Lasse & Persson, Clas (2020). Strong interplay between Na-and O-related defects in Cu-based chalcogenides.
• Løvvik, Ole Martin; Berland, Kristian; Remonato, Filippo; Sagvolden, Espen; Flage-Larsen, Espen & Schrade, Matthias [Show all 13 contributors for this article] (2019). Screening thermoelectric materials with ab initio atomistic modelling and machine learning techniques.
• Zhang, Yanyan; Tang, Yuxin; Deng, Jiyang; Leow, Wan Ru; Xia, Huarong & Zhu, Zhiqiang [Show all 13 contributors for this article] (2019). Cover page: ACS Materials Letters, Volume 1, Issue 5, November 4, 2019.
• Sopiha, Kostiantyn; Keller, Jan; Larsen, Jes K.; Edoff, Marika; Persson, Clas & Scragg, Jonathan (2019). Band offsets, phase decomposition, and grading in (Ag,Cu)(In,Ga)Se2 solar cells.
• Fiedler, Johannes; Persson, Clas & Buhmann, Stefan Yoshi (2019). Spectroscopy of nanoparticles without light.
• Fiedler, Johannes; Persson, Clas; Boström, Mathias & Buhmann, Stefan Yoshi (2019). The dispersion trap.
• Fiedler, Johannes; Persson, Clas & Buhmann, Stefan Yoshi (2019). Dispersion forces in inhomogeneous planarly layered media.
• Fiedler, Johannes; Persson, Clas & Buhmann, Stefan Yoshi (2019). Impact of dispersion forces on the release dynamics of dissolved gasses.
• Fiedler, Johannes; Persson, Clas & Buhmann, Stefan Yoshi (2019). Dispersion forces in inhomogeneous stratified media.
• Boström, Anders Mathias; Corkery, Robert; Lima, Eduardo R. A.; Malyi, Oleksandr I.; Buhmann, Stefan Yoshi & Persson, Clas [Show all 9 contributors for this article] (2019). Ice Coatings Stabilised by Lifshitz Forces Can Induce a Size Dependent Float to Sink Transition for CO2 Gas Hydrate Clusters in Remote Water Worlds.
• Nyberg, Fredrik; Løvvik, Ole Martin & Persson, Clas (2020). Ab initio calculation of the coefficient of thermal expansion and the secondary pyroelectric vector. Kjemisk Institutt, Universitetet i Oslo.
• Mjærum, Dagfinn Olaf Øvrevik; Persson, Clas; Berland, Kristian & Løvvik, Ole Martin (2019). Layer Stacking and Electronic Properties of Hexagonal Covalent Organic Frameworks - A Computational Investigation with van der Waals Density Functional Theory. Fysisk institutt, Universitetet i Oslo. Show summary

  We have calculated the electronic properties and layer stacking patterns for a group of twelve hexagonal covalent organic frameworks. This has been done in order to explore this group of materials on a fundamental level and aim to lay the ground work for further studies, which will focus on assessing these frameworks as useful materials for electronic and optoelectronic devices. To explore these materials, we have deployed numerical density functional theory calculations. A Van der Waals density functional is used to describe non-local correlation effects that give rise to stabilizing van der Waals forces, essential in layered systems. We found that all the materials prefer to stack in specific configurations close to AA-stacking, where subsequent layers are placed directly on-top of each other. We also found that the materials exhibit dispersion in the out-of-plane direction when we go from two-dimensional single layers to three-dimensional stacks.

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