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of 23
pro vyhledávání: '"Kim, Taek Jung"'
By means of $ab~initio$ computation schemes, we examine the low-energy electronic structure of monolayer TaS$_2$ in its low-temperature commensurate charge-density-wave structure. We estimate and take into account both local and non-local Coulomb cor
Externí odkaz:
http://arxiv.org/abs/2206.08519
Publikováno v:
npj Comput. Mater. 8, 245 (2022)
Magnetism in two-dimensional (2D) van der Waals (vdW) materials has lately attracted considerable attention from the point of view of both fundamental science and device applications. Obviously, establishing the detailed and solid understanding of th
Externí odkaz:
http://arxiv.org/abs/2202.02022
Publikováno v:
Phys. Rev. B 101, 064513 (2020)
To understand the superconductivity recently discovered in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$, we carried out LDA+DMFT (local density approximation plus dynamical mean-field theory) and magnetic force response calculations. The on-site correlation in Ni-$3d
Externí odkaz:
http://arxiv.org/abs/1909.05824
Publikováno v:
2D Materials, Volume 7, Number 3, 035023 (2020)
To understand the magnetism of VSe$_2$, whose monolayer form has recently been reported to be a room temperature ferromagnet, Here, the combined method of conventional density functional theory with dynamical mean-field theory has been adopted. This
Externí odkaz:
http://arxiv.org/abs/1907.04790
Publikováno v:
In iScience 19 May 2023 26(5)
Publikováno v:
Phys. Rev. B 97, 214431 (2018)
We present our calculation results for organic magnetic electrides. In order to identify the `cavity' electrons, we use maximally-localized Wannier functions and `empty atom' technique. The estimation of magnetic coupling is then performed based on m
Externí odkaz:
http://arxiv.org/abs/1804.05244
Autor:
Yoon, Hongkee, Kim, Taek Jung, Sim, Jae-Hoon, Jang, Seung Woo, Ozaki, Taisuke, Han, Myung Joon
Publikováno v:
Phys. Rev. B 97, 125132 (2018)
We investigated the reliability and applicability of so-called magnetic force linear response method to calculate spin-spin interaction strengths from first-principles. We examined the dependence on the numerical parameters including the number of ba
Externí odkaz:
http://arxiv.org/abs/1710.07533
Publikováno v:
In Computer Physics Communications February 2020 247
Akademický článek
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Publikováno v:
NPJ Computational Materials; 11/29/2022, Vol. 8 Issue 1, p1-6, 6p