241 citations · 993 across the 25 of their papers we have counts for
5 papers · 1 filter
Antiferromagnetic Slater Insulator Phase of Na2IrO3
Hyun-Jung Kim, Jun-Ho Lee, Jun-Hyung Cho
Using a hybrid density-functional theory (DFT) calculation including spin-orbit coupling (SOC), we predict that the zigzag antiferromagnetic (AFM) ground state of the honeycomb lay…
Ferrimagnetic Slater Insulator Phase of the Sn/Ge(111) Surface
Jun-Ho Lee, Hyun-Jung Kim, Jun-Hyung Cho
We have performed the semilocal and hybrid density-functional theory (DFT) studies of the Sn/Ge(111) surface to identify the origin of the observed insulating ${\sqrt{3}}{\times}{\…
Fluorine-induced local magnetic moment in graphene: A hybrid DFT study
Hyun-Jung Kim, Jun-Hyung Cho
Recent experimental evidence that fluorinated graphene creates local magnetic moments around F adatoms has not been supported by semilocal density-functional theory (DFT) calculati…
Driving force of phase transition in Indium nanowires on Si(111)
Hyun-Jung Kim, Jun-Hyung Cho
The precise driving force of the phase transition in indium nanowires on Si(111) has been controversial whether it is driven by a Peierls instability or by a simple energy lowering…
Physisorption of DNA nucleobases on h-BN and graphene: vdW-corrected DFT calculations
Jun-Ho Lee, Yun-Ki Choi, Hyun-Jung Kim +2
We present a comparative study of DNA nucleobases [guanine (G), adenine (A), thymine (T), and cytosine (C)] adsorbed on hexagonal boron nitride (\textit{h}-BN) sheet and graphene,…