Zobrazeno 1 - 10
of 187
pro vyhledávání: '"Kim, Bog. G."'
The properties of newly discovered polar ScFeO3 with magnetic ordering are examined using Ab initio calculations and symmetry mode analysis. The GGA+U calculation confirms the stability of polar R3c Phase in ScFeO3 and the pressure induced phase tran
Externí odkaz:
http://arxiv.org/abs/1606.00989
The effect of octahedral tilting on the acentric structural transitions in AGaO$_{3}$/A'GaO$_{3}$ [001], [110], and [111] superlattices (A, A' = La, Pr, Nd) is studied using density functional theory. We find the displacive transitions are driven by
Externí odkaz:
http://arxiv.org/abs/1411.4211
Autor:
Sim, Hyunsu, Kim, Bog G.
The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is responsib
Externí odkaz:
http://arxiv.org/abs/1311.4139
Autor:
Sim, Hyunsu, Kim, Bog G.
Publikováno v:
Phys. Rev. B 89, 144114 (2014)
The effects of octahedral tilting of RbANb2O7 (A = Bi, Nd) compounds was studied using density-functional theory. In this compound, the structural phase transition was correlated with two octahedral tilting modes (a-a-c0 tilting and a0a0c+ tilting),
Externí odkaz:
http://arxiv.org/abs/1311.4140
The effect of the octahedral tilting of ASnO3 (A = Ca, Sr, Ba) parent compound and bi-color ASnO3/BSnO3 superlattice (A, B = Ca, Sr, Ba) was predicted from density-functional theory. In the ASnO3 parent compound, the structural phase transition as a
Externí odkaz:
http://arxiv.org/abs/1304.7419
Autor:
Kim, Bog G., Choi, Hyoung Joon
Publikováno v:
Physical Review B 86, 115435 (2012)
We study alpha, beta, and gamma graphyne, a class of graphene allotropes with carbon triple bonds, using a first-principles density-functional method and tight-binding calculation. We find that graphyne has versatile Dirac cones and it is due to rema
Externí odkaz:
http://arxiv.org/abs/1112.2932
Kinetically-controlled thin-film growth of layered $\beta$- and $\gamma-$Na$_{x}$CoO$_{2}$ cobaltate
We report growth characteristics of epitaxial $\beta$-Na$_{0.6}$CoO$_{2}$ and $\gamma$-Na$_{0.7}$CoO$_{2}$ thin films on (001) sapphire substrates grown by pulsed-laser deposition. Reduction of deposition rate could change structure of Na$_{x}$CoO$_{
Externí odkaz:
http://arxiv.org/abs/cond-mat/0505269
Publikováno v:
In Journal of Alloys and Compounds 5 August 2017 713:187-193
Publikováno v:
In Journal of Solid State Chemistry October 2016 242 Part 1:136-142
Publikováno v:
In Journal of Solid State Chemistry March 2016 235:68-75