Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Seung Woo, Jang"'
Publikováno v:
Nanoscale. 12:13501-13506
Recent experimental findings of two dimensional ferromagnetism in Fe3GeTe2, whose critical temperature can reach room temperature by gating, has attracted great research interest. Here we performed elaborate ab initio studies using density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5a96ff817cc33e1882aa7dc131782db
https://doi.org/10.1039/c9nr10171c
https://doi.org/10.1039/c9nr10171c
Publikováno v:
Physical Review Materials. 5
To understand the magnetic property of layered van der Waals materials $\mathrm{CrO}X$ $(X=\text{Cl,Br})$, we performed detailed first-principles calculations for both the bulk and monolayer. We found that the charge-only density functional theory co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12ba829f20ccd9e2b2f46d9f64f9b35b
https://doi.org/10.1103/physrevmaterials.5.034409
https://doi.org/10.1103/physrevmaterials.5.034409
Autor:
Seung Woo, Jang, Hongkee, Yoon, Min Yong, Jeong, Siheon, Ryee, Heung-Sik, Kim, Myung Joon, Han
Publikováno v:
Nanoscale. 12(25)
Recent experimental findings of two dimensional ferromagnetism in Fe3GeTe2, whose critical temperature can reach room temperature by gating, has attracted great research interest. Here we performed elaborate ab initio studies using density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e04e02b63635084b0ac74fce8c7d629e
https://pubmed.ncbi.nlm.nih.gov/32555905
https://pubmed.ncbi.nlm.nih.gov/32555905
Publikováno v:
Physical Review Materials. 3
We performed the detailed microscopic analysis of the inter-layer magnetic couplings for bilayer CrI$_3$. As the first step toward understanding the recent experimental observations and utilizing them for device applications, we estimated magnetic fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4bc7cea88de47a58c7224653cad95f0
https://doi.org/10.1103/physrevmaterials.3.031001
https://doi.org/10.1103/physrevmaterials.3.031001
We report a successful combination of magnetic force linear response theory with quasiparticle self-consistent GW method. The self-consistently determined wavefunctions and eigenvalues can just be used for the conventional magnetic force calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b84fe7cdc53e333947cde06619c7ff6
http://arxiv.org/abs/1902.08292
http://arxiv.org/abs/1902.08292
Publikováno v:
Physical Review B. 98
We perform charge density functional theory plus $U$ calculation of LaMnO$_3$. While all the previous calculations were based on spin density functionals, our result and analysis show that the use of spin-unpolarized charge-only density is crucial to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc947319db4903c19e791befc84b3c00
https://doi.org/10.1103/physrevb.98.125126
https://doi.org/10.1103/physrevb.98.125126
Publikováno v:
Physical Review B. 97
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43269e51c1e8ca320d85afd70079ed54
https://doi.org/10.1103/physrevb.97.125132
https://doi.org/10.1103/physrevb.97.125132
Publikováno v:
Physical Review B. 93
Using quasiparticle self-consistent $GW$ calculations, we re-examined the electronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show that the correlation effects beyond the conventional LDA (local density approximation) and GGA (gener
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e17279c1c531f230d83fd2073105293
https://doi.org/10.1103/physrevb.93.075125
https://doi.org/10.1103/physrevb.93.075125
Autor:
Takao Kotani, Hiori Kino, Hirofumi Sakakibara, Myung Joon Han, Kazuhiko Kuroki, Seung Woo Jang
Publikováno v:
H. Sakakibara, S.W. Jang, H. Kino, M.J. Han, K. Kuroki, T. Kotani. Model-mapped RPA for determining the effective Coulomb interaction. Journal of the Physical Society of Japan. 2017, 86(4), 044714
We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is determined based on the random phase approximation (RPA). In contrast t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d8f7db0834ea546d5aaf066936c436f
Autor:
Junghun Suh, Seung Woo Jang
Publikováno v:
Organic Letters. 10:481-484
Proteolytic activity of the Cu(II) complex of 1-oxa-4,7,10-triazacyclododecane (oxacyclen) was compared with that of the Cu(II) complex of 1,4,7,10-tetraazacyclododecane by using albumin, gamma-globulin, and myoglobin as substrates. Values of kcat/Km
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34ef4e3d06f1c3435b8e050d04336b65
https://doi.org/10.1021/ol702860h
https://doi.org/10.1021/ol702860h