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Quasiparticle band structures, spontaneous polarization, and spin-splitting in noncentrosymmetric few-layer and bulk -GeSe
Han-gyu Kim, Hyoung Joon Choi
Group-IV monochalcogenides have attracted much attention due to their potential of ferroelectric and multiferroic properties. Recently, centrosymmetric gamma-phase GeSe in a double…
Causal optimization method for imaginary-time Green's functions in interacting electron systems
Mancheon Han, Hyoung Joon Choi
We develop a causal optimization method that ensures causality in numerical calculations of Green's functions in interacting electron systems. Our method removes noncausality of nu…
Anisotropic Pseudospin Tunneling in Two-Dimensional Black Phosphorus Junctions
Young Woo Choi, Hyoung Joon Choi
We investigate the role of pseudospin structure of few-layer black phosphorus (BP) in interband tunneling properties in lateral BP junctions. We find that interband tunneling is cr…
Quasiparticle band structures of bulk and few-layer PdSe2 from first-principles GW calculations
Han-gyu Kim, Hyoung Joon Choi
We performed first-principles density functional theory (DFT) and GW calculations to investigate electronic structures of bulk and few-layer PdSe2. We obtained the quasiparticle ba…
γ-GeSe:a new hexagonal polymorph from group IV-VI monochalcogenides
Sol Lee, Joong-Eon Jung, Han-gyu Kim +12
The family of group IV-VI monochalcogenides has an atomically puckered layered structure, and their atomic bond configuration suggests the possibility for the realization of variou…
Single-Crystalline Metallic Films Induced by van der Waals Epitaxy on Black Phosphorus
Yangjin Lee, Han-gyu Kim, Tae Keun Yun +11
The properties of metal-semiconductor junctions are often unpredictable because of non-ideal interfacial structures, such as interfacial defects or chemical reactions introduced at…