Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Marcel Giar"'
Publikováno v:
Scientific Reports, Vol 10, Iss 1, Pp 1-8 (2020)
Since there are still research interests in the physical properties of quasi-binary thermoelectric $${\hbox {Mg}}_{2} {\hbox {X}}_{1-x}{\hbox {Y}}_{x}$$ Mg 2 X 1 - x Y x alloys, with X, Y = Si, Ge, Sn, we present an ab initio analysis that yields the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doajarticles::3fadab593c2f9af64d83759814d6bae3
http://link.springer.com/article/10.1038/s41598-020-73277-9
http://link.springer.com/article/10.1038/s41598-020-73277-9
Autor:
Martin Votsmeier, Herbert Over, Elifkübra Özkan, Juan M. Guerra, Alexander Hofmann, Marcel Giar, Felix Benfer, Christian Heiliger, Bernd M. Smarsly, Pascal Cop
Publikováno v:
The Journal of Physical Chemistry C. 124:8736-8748
Stoichiometric cerium oxide nanoparticles with different sizes, ranging between 2 and 12 nm, were prepared by a rational design of the synthetic concept, based on a special hydrothermal procedure. ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::22d5335db7101f5f2d0f408de9f9d7ba
https://doi.org/10.1021/acs.jpcc.0c00010
https://doi.org/10.1021/acs.jpcc.0c00010
Publikováno v:
Scientific reports. 10(1)
Since there are still research interests in the physical properties of quasi-binary thermoelectric [Formula: see text] alloys, with X, Y = Si, Ge, Sn, we present an ab initio analysis that yields the relative formation energy and effective masses of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8c1c82689df5a772f84a87a5f75345a9
https://pubmed.ncbi.nlm.nih.gov/33004898
https://pubmed.ncbi.nlm.nih.gov/33004898
Publikováno v:
Physical Review Materials. 2
${\mathrm{Mg}}_{2}{X}_{1\ensuremath{-}x}{Y}_{x}$ thermoelectric materials and their pseudobinary related alloys, for $X,Y$ = Si,Ge,Sn, have been the subject of intense research activity. Studies have revealed their electronic nature, but important pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3df3f044e0026898cf828e4ab11ffeac
https://doi.org/10.1103/physrevmaterials.2.104605
https://doi.org/10.1103/physrevmaterials.2.104605
Publikováno v:
Physical Review B. 96
We present density functional theory (DFT) calculations on phonon dispersions, phonon density of states, and thermodynamic quantities for the three copper oxide phases ${\mathrm{Cu}}_{2}\mathrm{O},{\mathrm{Cu}}_{4}{\mathrm{O}}_{3}$, and CuO. For mono
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::454ebdd8f58d500f2c2bddea8b8cf70f
https://doi.org/10.1103/physrevb.96.075202
https://doi.org/10.1103/physrevb.96.075202
Autor:
Marcel Giar, Yunbin He, Angelika Polity, Martin Becker, Peter J. Klar, Bianca Eifert, Christian T. Reindl, Lilan Zheng, Christian Heiliger
Publikováno v:
Physical Review Materials. 1
The existence of an intermediate phase of tin oxide was first reported in 1882. However, its stoichiometry and its crystal structure have been dubious and heavily debated ever since, despite a multitude of structural investigations. We show that Rama
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d65fcf9f18c924c573adff89f8371ff
https://doi.org/10.1103/physrevmaterials.1.014602
https://doi.org/10.1103/physrevmaterials.1.014602
Publikováno v:
MRS Proceedings. 1494:57-63
We analyze the influence of the Mg concentration on several important properties of the band structure of Zn1-xMgxO alloys in wurtzite structure using ab initio calculations. For this purpose, the band structure for finite concentrations is defined i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81f1d2a0c3f666b640c3e857d7dc7c56
https://doi.org/10.1557/opl.2012.1709
https://doi.org/10.1557/opl.2012.1709
Publikováno v:
MRS Proceedings. 1201
We perform density functional theory calculations to determine equilibrium lattice parameters of wurtzite Zn1-xMgxO alloys for Mg concentrationsxranging from 0 to 31.25 %. We use the local density approximation (LDA) as well as the generalized gradie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44a989881ae3d17ba84ffafaefd26a9b
https://doi.org/10.1557/proc-1201-h05-33
https://doi.org/10.1557/proc-1201-h05-33