Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Wilfredo, Ibarra Hernández"'
Autor:
S. Mejía Sintillo, Alejandro Bautista Hernández, Alejandra Alicia Peláez Cid, Wilfredo Ibarra Hernández, M. Salazar Villanueva
Publikováno v:
ACS Omega, Vol 7, Iss 38, Pp 34401-34411 (2022)
Externí odkaz:
https://doaj.org/article/28fe0229eb51421a8d640ad9fcfdf159
Autor:
Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco, Keenan X. Kocan, Sobhit Singh, Viviana Dovale-Farelo, Wilfredo Ibarra-Hernández, Matthew B. Johnson, David S. Mebane, Aldo H. Romero
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)
Abstract The density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard correction to treat strongly correlated elect
Externí odkaz:
https://doaj.org/article/406216400ae242adb9a0f8c600fbfa6a
Autor:
S Mejía, Sintillo, Alejandro, Bautista Hernández, Alejandra Alicia, Peláez Cid, Wilfredo, Ibarra Hernández, M Salazar, Villanueva
Publikováno v:
ACS omega. 7(38)
In order to obtain the structural and electronic properties of pristine copper clusters and Cu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::4defc8959f18bf676feeee77a680d168
https://pubmed.ncbi.nlm.nih.gov/36188309
https://pubmed.ncbi.nlm.nih.gov/36188309
Autor:
Wilfredo Ibarra-Hernández, A. C. Garcia-Castro, Alejandro Bautista-Hernández, Martin Salazar-Villanueva, Andrés Cantarero, Aldo H. Romero
Publikováno v:
Physical Review Materials. 6
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::86ee1adfc1d9fbdea425da9fef2e7f64
https://doi.org/10.1103/physrevmaterials.6.025403
https://doi.org/10.1103/physrevmaterials.6.025403
Autor:
Alessandra Romero, Aleksey N. Kolmogorov, Wilfredo Ibarra-Hernández, A. Bautista-Hernández, Guillermo Avendaño-Franco, Samad Hajinazar
Publikováno v:
Physical Chemistry Chemical Physics. 20:27545-27557
We have combined a neural network formalism with metaheuristic structural global search algorithms to systematically screen the Mg-Ca binary system for new (meta)stable alloys. The combination of these methods allows for an efficient exploration of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad233d1cd883fa6496883d6f65b31f5e
https://doi.org/10.1039/c8cp05314f
https://doi.org/10.1039/c8cp05314f
Autor:
Carlos, Rodríguez-Fernández, Mohammed, Almokhtar, Wilfredo, Ibarra-Hernández, Mauricio Morais, de Lima, Aldo H, Romero, Hajime, Asahi, Andrés, Cantarero
Publikováno v:
Nano letters. 18(8)
Wurtzite semiconductor compounds have two silent modes, B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::a0b1fb0f9be9fef7cc3e87266d2a2a0b
https://pubmed.ncbi.nlm.nih.gov/30044921
https://pubmed.ncbi.nlm.nih.gov/30044921
Publikováno v:
Physical Review B. 97
We use ab initio density functional theory calculations to understand the electronic, dynamical, and thermoelectric behavior of layered crystalline phase-change materials. We perform calculations on the pseudobinary compounds ${(\mathrm{GeTe})}_{x}/(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::324e9c0d5cf2ce918ef743bf494af7ab
https://doi.org/10.1103/physrevb.97.245205
https://doi.org/10.1103/physrevb.97.245205
Publikováno v:
Physical Review B. 90
We use first-principles calculations to understand the behavior of the Seebeck coefficient (S) in Bi2Te3 as a function of isotropic pressure. We perform calculations up to 5 GPa using density functional theory and with thermoelectric properties extra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::775ca9a537e7bd303e97799e8c00544e
https://doi.org/10.1103/physrevb.90.245204
https://doi.org/10.1103/physrevb.90.245204