Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

MODY – calculation of ordered structures by symmetry-adapted functions

Autor: Białas Franciszek, Pytlik Lucjan, Sikora Wiesława

Publikováno v: Open Physics, Vol 14, Iss 1, Pp 559-569 (2016)

In this paper we focus on the new version of computer program MODY for calculations of symmetryadapted functions based on the theory of groups and representations. The choice of such a functional frame of coordinates for description of ordered struct

Externí odkaz: https://doaj.org/article/72bb695da8c64d2db0a6408d655ee9cd

Elastic properties and plane acoustic velocity of cubic Sr2CaMoO6 and Sr2CaWO6 from first-principles calculations

Autor: Zhenyuan Jia, Willie Smith, Peida Wang

Publikováno v: Open Physics, Vol 16, Iss 1, Pp 826-831 (2018)

The elastic properties and plane acoustic velocity of double perovskite Sr2CaMoO6 and Sr2CaWO6 are investigated with the plane wave pseuedopotential method based on the first-principles density functional theory within the local density approximate (

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79ffaa2c77cba45095be578586bb7512
https://doi.org/10.1515/phys-2018-0103

Hysteresis of Low-Temperature Thermal Conductivity and Boson Peak in Glassy (g) As

Autor: V, Mitsa, A, Feher, S, Petretskyi, R, Holomb, V, Tkac, P, Ihnatolia, A, Laver

Publikováno v: Nanoscale Research Letters

Experimental results of the thermal conductivity (k(T)) of nanostructured g-As2S3 during cooling and heating processes within the temperature range from 2.5 to 100 K have been analysed. The paper has considered thermal conductivity is weakly temperat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::560e87323c7be833454c33b8b3edb122
https://pubmed.ncbi.nlm.nih.gov/28494573

Atomistic modeling of epitaxial graphene on Ru(0001) and deposited ruthenium nanoparticles

Autor: Franck Rabilloud, Florent Calvo, Georg Daniel Förster

Publikováno v: Physical Review B: Condensed Matter and Materials Physics (1998-2015)
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2015, 92 (16), pp.165425. ⟨10.1103/PhysRevB.92.165425⟩

International audience; A bond-order potential is presented for the Ru-C system, aiming to model epitaxial graphene on Ru(0001) and ruthenium nanoparticles on such substrates or on graphite. The model has been parametrized on electronic structure cal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16420330ca486670785b492094e2cd94
https://hal.archives-ouvertes.fr/hal-02043018/file/PhysRevB.92.165425.pdf