Zobrazeno 1 - 10
of 66
pro vyhledávání: '"Baobing Zheng"'
Autor:
Xinchun Zhou, Baobing Zheng
Publikováno v:
Crystals, Vol 9, Iss 8, p 389 (2019)
Thorium borocarbide compounds have fascinating physical properties and diverse structures, and hence have stimulated great interest. In this work, we determine the ground state structure of ThBC2 by the unbiased structure prediction method based on f
Externí odkaz:
https://doaj.org/article/286b56fa52484e0389aa12f642d6fbd8
Publikováno v:
AIP Advances, Vol 5, Iss 3, Pp 037123-037123-8 (2015)
The compressibility, elastic anisotropy, and thermodynamic properties of the recently proposed tetragonal B4C4 (t-B4C4) are investigated under high temperature and high pressure by using of first-principles calculations method. The elastic constants,
Externí odkaz:
https://doaj.org/article/950fd826316943589857ffe71deca14e
Publikováno v:
Materials, Vol 10, Iss 2, p 128 (2017)
First-principles calculations were employed to study the mechanical properties for the recently proposed tetragonal B4CO4 (t-B4CO4). The calculated structural parameters and elastic constants of t-B4CO4 are in excellent agreement with the previous re
Externí odkaz:
https://doaj.org/article/b6372e5fd209416fb1fb501a1747d0d0
Publikováno v:
Materials, Vol 9, Iss 11, p 902 (2016)
A pressure-induced phase transition of Mg2Sr intermetallics from the low-pressure C14-type phase to an orthorhombic phase (space group Cmcm, Z = 4) at a high pressure of 21.0 GPa was firstly predicted using first-principles calculations combined with
Externí odkaz:
https://doaj.org/article/c43091aa7c1a4d878348160f1fb16839
Publikováno v:
Materials, Vol 9, Iss 7, p 514 (2016)
Motivated by a recently predicted structure of diamond-like BC2 with a high claimed hardness of 56 GPa (J. Phys. Chem. C 2010, 114, 22688–22690), we focus on whether this tetragonal BC2 (t-BC2) is superhard or not in spite of such an ultrahigh theo
Externí odkaz:
https://doaj.org/article/ed932a0b9b2f4574b0bb8c5d456a5988
Publikováno v:
Physical Chemistry Chemical Physics. 24:18265-18271
Water molecules linked by hydrogen bonds are responsible for the high efficiency of bi-functional catalysts for the water-gas-shift (WGS) reaction because water can act as a proton transfer medium. Herein, we propose an associative pathway for the WG
Publikováno v:
Physical Review B. 105
The valley-polarized quantum anomalous Hall (VQAH) state, which forwards a strategy for combining valleytronics and spintronics with nontrivial topology, attracts intensive interest in condensed-matter physics. So far, the explored VQAH states have s
Publikováno v:
The Journal of Physical Chemistry C. 124:6253-6259
Nontrivial surface states in topological insulators are originated from the bulk band topology, and thus are protected against non-magnetic surface perturbations. However, previous experimental and...
The valley-polarized quantum anomalous Hall effect (VQAHE) attracts intensive interest since it uniquely combines valleytronics and spintronics with nontrivial band topology. Here, based on first-principles calculations and Wannier-function-based tig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19aacdc6e4bf86ef066c709fc0453b08
http://arxiv.org/abs/2109.10769
http://arxiv.org/abs/2109.10769
Publikováno v:
Physical Review B. 104
Hourglass dispersion is generally believed to be solely protected by nonsymmorphic symmetries, because these symmetries can introduce high-dimensional projective representations. Here, based on symmetry arguments, we propose that the hourglass disper