Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Zheng X. Yan"'
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
Abstract We have investigated the crystal structures and mechanical properties of osmium diboride (OsB2) based on the density functional theory. The structures of OsB2 from 0 to 400 GPa were predicted using the particle swarm optimization algorithm s
Externí odkaz:
https://doaj.org/article/0140c86504b940b59687f4e6f85a9758
Publikováno v:
The European Physical Journal B. 96
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f839933373eac0afe784427ce3dcdf28
https://doi.org/10.1140/epjb/s10051-023-00534-x
https://doi.org/10.1140/epjb/s10051-023-00534-x
Publikováno v:
Applied Physics A. 129
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b132e03427c698f53d8938422d06565c
https://doi.org/10.1007/s00339-023-06465-9
https://doi.org/10.1007/s00339-023-06465-9
Publikováno v:
Philosophical Magazine. 102:228-243
Recently, a new layered-ternary compound V2SnC was successfully synthesised by reacting V, Sn, and C powder mixture at 1000°C. Its space group was identified as P63/mmc. In this work, the structura...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be13e915e59b7c22737b568ce8b3e502
https://doi.org/10.1080/14786435.2021.1988747
https://doi.org/10.1080/14786435.2021.1988747
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
Scientific Reports
Scientific Reports
We have investigated the crystal structures and mechanical properties of osmium diboride (OsB2) based on the density functional theory. The structures of OsB2 from 0 to 400 GPa were predicted using the particle swarm optimization algorithm structure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a680e5d2eae19df9212f89cdffe59529
https://doaj.org/article/0140c86504b940b59687f4e6f85a9758
https://doaj.org/article/0140c86504b940b59687f4e6f85a9758
Publikováno v:
Philosophical Magazine. 100:2054-2067
Recently, Wang et al. [Nat. Commun. 10 (2019) 2284] report a new compound, Ti2InB2, a stable boron-based ternary phase in the Ti-In-B system. This predicted compound is successfully synthesised usi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df6cf25e8a56667d234f57d27d1fca0c
https://doi.org/10.1080/14786435.2020.1754485
https://doi.org/10.1080/14786435.2020.1754485
Publikováno v:
RSC Advances. 10:37142-37152
The phase stabilities, elastic anisotropies, and thermal conductivities of ReB2 diborides under ambient conditions have been investigated by using density functional theory calculations. It was found that P63/mmc (hP6-ReB2), Pmmn (oP6-ReB2), Rm (hR3-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40b8f5a0897b175fb6e17af5d5597ea9
https://doi.org/10.1039/d0ra07633c
https://doi.org/10.1039/d0ra07633c
Publikováno v:
Philosophical Magazine. 99:2321-2339
The structural, elastic, and electronic properties of SrZrN2 under pressure up to 100 GPa have been carried out with first-principles calculations based on density functional theory. The ca...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e6f1607b8247a687db5d1a94498af880
https://doi.org/10.1080/14786435.2019.1626511
https://doi.org/10.1080/14786435.2019.1626511
Publikováno v:
Solid State Communications. 323:114130
It is believed that the quasi-harmonic approximation can well describe the volume-dependent phonon frequency of most materials at zero temperature. In this work, we found that this widely used method cannot accurately describe the phonon frequencies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e7de6cdacfc0a676f0553ebe8dea0ba
https://doi.org/10.1016/j.ssc.2020.114130
https://doi.org/10.1016/j.ssc.2020.114130
Publikováno v:
Solid State Sciences. 106:106299
The structural and mechanical properties, and thermal conductivity of Bi2O2X (X = Se, Te) under pressures ranging up to 50 GPa were evaluated by first-principles calculations based on the density functional theory. The calculated lattice parameters a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25090733d8e657006807d574c758bd20
https://doi.org/10.1016/j.solidstatesciences.2020.106299
https://doi.org/10.1016/j.solidstatesciences.2020.106299