Clas Persson

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Academic Interests

To understand the basic physics of materials from the point of the atomic scale. We do that by theoretically model and calculate complex material structures. The intention is to desig materials for the use in primarily renewable energy technologies, such as solar cells, LEDs, and thermoelectric devices. The physics at the interface between two materials is very important to analyze the electron, ion, and heat transport in these devices. By understanding the fundamental physics of materials, we can propose new, inexpensive, environmental-friendly, and efficient materials. Thus, we are involved in the development of future energy technologies.

We use world-leading and very powerful computer program to calculate the fundamental properties of materials (Wien2k, VASP, Exciting). We are also involved in developing the software in order to studying new material properties. These computer programs are theoretical tools in our studies. The research is focused on analyzing different types of material structures to obtain both broad and deep theoretical understanding of materials at the atomic level to micrometer scale.

Personal Home Page

Clas Persson, home page

 

Tags: materials science, Theoretical physics, Renewable energy, atomistic modeling, DFT, Green's functions, Programming, SMN, Structure Physics

Publications

  • Xue, Yang; Lin, Changqing; Zhong, Jiancheng; Huang, Dan & Persson, Clas (2024). Group-IIIA element doped BaSnS2 as a high efficiency absorber for intermediate band solar cell from a first-principles insight†. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 26(10), p. 8380–8389. doi: 10.1039/d3cp05824g.
  • Boström, Mathias; Li, Y.; Brevik, Iver Håkon; Persson, Clas; Carretero-Palacios, S. & Malyi, O. I. (2023). van der Waals induced ice growth on partially melted ice nuclei in mist and fog. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 25, p. 32709–32714. doi: 10.1039/d3cp04157c.
  • Ju, Zhiping; Lin, Changqing; Xue, Yang; Huang, Dan & Persson, Clas (2023). First-principles prediction on Ag3SbS4 as a photovoltaic absorber. Journal of Physics and Chemistry of Solids. ISSN 0022-3697. 183. doi: 10.1016/j.jpcs.2023.111655.
  • Boström, M.; S., Kuthe; S., Carretero-Palacios; V., Esteso; Li, Y. & Brevik, Iver Håkon [Show all 10 contributors for this article] (2023). Understanding ice and water film formation on soil particles by combining density functional theory and Casimir-Lifshitz forces. Physical review B (PRB). ISSN 2469-9950. 108(12). doi: 10.1103/PhysRevB.108.125434.
  • Boström, Mathias; Rizwan Khan, M.; Gopidi, H. R.; Brevik, Iver Håkon; Li, Y. & Persson, Clas [Show all 7 contributors for this article] (2023). Tuning the Casimir-Lifshitz force with gapped metals. Physical review B (PRB). ISSN 2469-9950. 108(16). doi: 10.1103/PhysRevB.108.165306.
  • Tan, Xiaoqin; Guo, Xinyi; Xue, Yang; Lin, Changqing; Persson, Clas & Huang, Dan (2023). Band gap tailoring in a low toxicity and low-cost solar cell absorber Cu3SbS4 through Na alloying: A first-principles study. Journal of Crystal Growth. ISSN 0022-0248. 607. doi: 10.1016/j.jcrysgro.2023.127132.
  • Fiedler, Johannes; Berland, Kristian; Borchert, James; Corkery, Robert; Eisfeld, Alexander & Gelbwaser-Klimovsky, David [Show all 20 contributors for this article] (2022). Perspectives on weak interactions in complex materials at different length scales. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 25, p. 2671–2705. doi: 10.1039/d2cp03349f. Full text in Research Archive
  • Huang, Dan; Lin, Changqing; Xue, Yang; Chen, Shiyou; Zhao, Yu-Jun & Persson, Clas (2022). Electronic structure, defect properties, and optimization of the band gap of the earth-abundant and low-toxicity photovoltaic absorber Cu3SbS4. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 24(41), p. 25258–25269. doi: 10.1039/d2cp01941h.
  • Larsen, Jes; Sopiha, Kostiantyn; Persson, Clas; Platzer-Björkman, Charlotte & Edoff, Marika (2022). Experimental and Theoretical Study of Stable and Metastable Phases in Sputtered CuInS2. Advanced Science. ISSN 2198-3844. 9(23). doi: 10.1002/advs.202200848. Full text in Research Archive
  • Li, Yang; Milton, Kimball A.; Brevik, Iver Håkon; Malyi, Oleksandr 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. Full text in Research Archive
  • 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.
  • 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.
  • 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.

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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.
  • Høylo-Rosenberg, Jørn-Marcus; Løvvik, Ole Martin & Persson, Clas (2022). An ab initio study of the band gaps of high-entropy silicides based on FeSi2. Universitetet i Oslo.
  • Persson, Clas & Tariq, Aayesha (2022). First-principle calculations of ferroelectric properties of HfO2 and ZrO2. Universitetet i Oslo.
  • Persson, Clas & Aulie Hinderaker, Mariel (2022). DFT Calculations of Metal Oxide Semiconductors - An Improvement of Optical and Electronic Property Calculations. Universitetet i Oslo.
  • Nyberg, Fredrik; Løvvik, Ole Martin & Persson, Clas (2020). Ab initio calculation of the coefficient of thermal expansion and the secondary pyroelectric vector. 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. Universitetet i Oslo.

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Published Feb. 1, 2011 3:05 PM - Last modified Sep. 15, 2023 2:32 PM