Simak SI - Search Results

1

Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide.

Xu W, Greenberg E, Rozenberg GKh, Pasternak MP, Bykova E, Boffa-Ballaran T, Dubrovinsky L, Prakapenka V, Hanfland M, Vekilova OY, Simak SI, Abrikosov IA. Xu W, et al. Among authors: simak si. Phys Rev Lett. 2013 Oct 25;111(17):175501. doi: 10.1103/PhysRevLett.111.175501. Epub 2013 Oct 24. Phys Rev Lett. 2013. PMID: 24206502

2

Optimization of ionic conductivity in doped ceria.

Andersson DA, Simak SI, Skorodumova NV, Abrikosov IA, Johansson B. Andersson DA, et al. Among authors: simak si. Proc Natl Acad Sci U S A. 2006 Mar 7;103(10):3518-21. doi: 10.1073/pnas.0509537103. Epub 2006 Feb 14. Proc Natl Acad Sci U S A. 2006. PMID: 16478802 Free PMC article.

3

Highly Efficient Free Energy Calculations of the Fe Equation of State Using Temperature-Dependent Effective Potential Method.

Mosyagin I, Hellman O, Olovsson W, Simak SI, Abrikosov IA. Mosyagin I, et al. Among authors: simak si. J Phys Chem A. 2016 Nov 3;120(43):8761-8768. doi: 10.1021/acs.jpca.6b08633. Epub 2016 Oct 21. J Phys Chem A. 2016. PMID: 27700093 Free PMC article.

4

Synthesis of Ti₃AuC₂, Ti₃Au₂C₂ and Ti₃IrC₂ by noble metal substitution reaction in Ti₃SiC₂ for high-temperature-stable Ohmic contacts to SiC.

Fashandi H, Dahlqvist M, Lu J, Palisaitis J, Simak SI, Abrikosov IA, Rosen J, Hultman L, Andersson M, Lloyd Spetz A, Eklund P. Fashandi H, et al. Among authors: simak si. Nat Mater. 2017 Aug;16(8):814-818. doi: 10.1038/nmat4896. Epub 2017 May 1. Nat Mater. 2017. PMID: 28459444 Free article.

5

Oxygen diffusion in ceria doped with rare-earth elements.

Nilsson JO, Leetmaa M, Vekilova OY, Simak SI, Skorodumova NV. Nilsson JO, et al. Among authors: simak si. Phys Chem Chem Phys. 2017 May 31;19(21):13723-13730. doi: 10.1039/c6cp06460d. Phys Chem Chem Phys. 2017. PMID: 28497151

6

Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts.

Bykova E, Bykov M, Černok A, Tidholm J, Simak SI, Hellman O, Belov MP, Abrikosov IA, Liermann HP, Hanfland M, Prakapenka VB, Prescher C, Dubrovinskaia N, Dubrovinsky L. Bykova E, et al. Among authors: simak si. Nat Commun. 2018 Nov 15;9(1):4789. doi: 10.1038/s41467-018-07265-z. Nat Commun. 2018. PMID: 30442940 Free PMC article.

7

Localized versus itinerant character of 4f-states in cerium oxides.

Herper HC, Vekilova OY, Simak SI, Di Marco I, Eriksson O. Herper HC, et al. Among authors: simak si. J Phys Condens Matter. 2020 May 13;32(21):215502. doi: 10.1088/1361-648X/ab6e92. J Phys Condens Matter. 2020. PMID: 31968323

8

Anharmonicity and Ultralow Thermal Conductivity in Lead-Free Halide Double Perovskites.

Klarbring J, Hellman O, Abrikosov IA, Simak SI. Klarbring J, et al. Among authors: simak si. Phys Rev Lett. 2020 Jul 24;125(4):045701. doi: 10.1103/PhysRevLett.125.045701. Phys Rev Lett. 2020. PMID: 32794779 Free article.

9

Lattice Dynamics and Electron-Phonon Coupling in Double Perovskite Cs₂NaFeCl₆.

Zhang B, Klarbring J, Ji F, Simak SI, Abrikosov IA, Gao F, Rudko GY, Chen WM, Buyanova IA. Zhang B, et al. Among authors: simak si. J Phys Chem C Nanomater Interfaces. 2023 Jan 19;127(4):1908-1916. doi: 10.1021/acs.jpcc.2c07493. eCollection 2023 Feb 2. J Phys Chem C Nanomater Interfaces. 2023. PMID: 36761233 Free PMC article.

10

Formation and Polymorphism of Semiconducting K₂SiH₆ and Strategy for Metallization.

Vekilova OY, Beyer DC, Bhat S, Farla R, Baran V, Simak SI, Kohlmann H, Häussermann U, Spektor K. Vekilova OY, et al. Among authors: simak si. Inorg Chem. 2023 May 29;62(21):8093-8100. doi: 10.1021/acs.inorgchem.2c04370. Epub 2023 May 15. Inorg Chem. 2023. PMID: 37188333 Free PMC article.

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