566 citations · 2.2k across the 54 of their papers we have counts for
6 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…
Antiferromagnetic ordering of dangling-bond electrons at the stepped Si(001) surface
Jun-Ho Lee, Sun-Woo Kim, Jun-Hyung Cho
Using first-principles density-functional calculations, we explore the possibility of magnetic order at the rebonded step of the Si(001) surface. The rebonded step cont…
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,…