Lead‐Free Halide Double Perovskite Cs2 AgBiBr6 with Decreased Band Gap F Ji, J Klarbring, F Wang, W Ning, L Wang, C Yin, JSM Figueroa, ...
Angewandte Chemie 132 (35), 15303-15306, 2020
163 2020 Thermochromic lead‐free halide double perovskites W Ning, XG Zhao, J Klarbring, S Bai, F Ji, F Wang, SI Simak, Y Tao, ...
Advanced Functional Materials 29 (10), 1807375, 2019
156 2019 Anharmonicity and ultralow thermal conductivity in lead-free halide double perovskites J Klarbring, O Hellman, IA Abrikosov, SI Simak
Physical review letters 125 (4), 045701, 2020
126 2020 Near‐Infrared Light‐Responsive Cu‐Doped Cs2 AgBiBr6 F Ji, Y Huang, F Wang, L Kobera, F Xie, J Klarbring, S Abbrent, J Brus, ...
Advanced Functional Materials 30 (51), 2005521, 2020
93 2020 Bright and stable near-infrared lead-free perovskite light-emitting diodes F Yuan, G Folpini, T Liu, U Singh, A Treglia, JWM Lim, J Klarbring, ...
Nature Photonics 18 (2), 170-176, 2024
64 2024 Nature of the octahedral tilting phase transitions in perovskites: A case study of J Klarbring, SI Simak
Physical Review B 97 (2), 024108, 2018
56 2018 Diverging Expressions of Anharmonicity in Halide Perovskites A Cohen, TM Brenner, J Klarbring, R Sharma, DH Fabini, R Korobko, ...
Advanced Materials, 2107932, 2022
51 2022 Low-energy paths for octahedral tilting in inorganic halide perovskites J Klarbring
Physical Review B 99 (10), 104105, 2019
47 2019 Superioniclike diffusion in an elemental crystal: bcc titanium DG Sangiovanni, J Klarbring, D Smirnova, NV Skripnyak, D Gambino, ...
Physical review letters 123 (10), 105501, 2019
35 2019 Free energy predictions for crystal stability and synthesisability K Tolborg, J Klarbring, AM Ganose, A Walsh
Digital Discovery 1 (5), 586-595, 2022
32 2022 Analysis of dihydrogen bonding in ammonium borohydride S Filippov, JB Grinderslev, MS Andersson, J Armstrong, M Karlsson, ...
The Journal of Physical Chemistry C 123 (47), 28631-28639, 2019
27 2019 Dynamic local structure in caesium lead iodide: spatial correlation and transient domains WJ Baldwin, X Liang, J Klarbring, M Dubajic, D Dell'Angelo, C Sutton, ...
Small 20 (3), 2303565, 2024
26 2024 TDEP: Temperature Dependent Effective Potentials F Knoop, N Shulumba, A Castellano, JP Alvarinhas Batista, R Farris, ...
Journal of Open Source Software 9 (94), 2024
25 2024 Imperfections are not 0 K: free energy of point defects in crystals I Mosquera-Lois, SR Kavanagh, J Klarbring, K Tolborg, A Walsh
Chemical Society Reviews, 2023
23 2023 Ionic conductivity in Gd-doped Ab initio color-diffusion nonequilibrium molecular dynamics study JO Nilsson, OY Vekilova, O Hellman, J Klarbring, SI Simak, ...
Physical Review B 93 (2), 024102, 2016
22 2016 Finite-temperature lattice dynamics and superionic transition in ceria from first principles J Klarbring, NV Skorodumova, SI Simak
Physical Review B 97 (10), 104309, 2018
21 2018 Lattice Dynamics and Electron–Phonon Coupling in Double Perovskite Cs2 NaFeCl6 B Zhang, J Klarbring, F Ji, SI Simak, IA Abrikosov, F Gao, GY Rudko, ...
The Journal of Physical Chemistry C 127 (4), 1908-1916, 2023
20 2023 Structural dynamics descriptors for metal halide perovskites X Liang, J Klarbring, WJ Baldwin, Z Li, G Csányi, A Walsh
The Journal of Physical Chemistry C 127 (38), 19141-19151, 2023
17 2023 Phase stability of dynamically disordered solids from first principles J Klarbring, SI Simak
Physical review letters 121 (22), 225702, 2018
14 2018 Na–Ni–H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH5 ]3– Versus the Perovskite NaNiH3 K Spektor, WA Crichton, S Filippov, J Klarbring, SI Simak, A Fischer, ...
Acs Omega 5 (15), 8730-8743, 2020
13 2020 
Sergei SimakProfessor of Theoretical Physics, Linköping UniversityAdresse e-mail validée de ifm.liu.se
