Dimensionality crossover for moiré excitons in twisted bilayers of anisotropic two-dimensional semiconductors DOI
Isaac Soltero, David A. Ruiz‐Tijerina

Physical review. B./Physical review. B, Journal Year: 2023, Volume and Issue: 108(20)

Published: Nov. 6, 2023

We study the energies and optical spectra of excitons in twisted bilayers anisotropic van der Waals semiconductors exhibiting moir\'e patterns, taking phosphorene as a case study. Leveraging scale separation between length exciton Bohr radii, we introduce continuous model for Wannier that incorporates spatial variation their binding energies. Our calculations reveal dimensionality crossover states, driven by combined dispersion potential anisotropies, from quantum dot lattices at twist angles $\ensuremath{\theta}<{\ensuremath{\theta}}_{*}$, to wire arrays $\ensuremath{\theta}>{\ensuremath{\theta}}_{*}$, with angle ${\ensuremath{\theta}}_{*}={4}^{\ensuremath{\circ}}$. identify clear signatures this dependence excitonic absorption spectra, which allows experimental verification our theoretical results through standard measurements. establish two-dimensional versatile solid-state platforms exploring bosonic correlations across different dimensionalities.

Language: Английский

Ultrafast optical properties and applications of anisotropic 2D materials DOI Creative Commons

Sang Ho Suk,

Sung Bok Seo,

Yeon Sik Cho

et al.

Nanophotonics, Journal Year: 2024, Volume and Issue: 13(2), P. 107 - 154

Published: Jan. 2, 2024

Two-dimensional (2D) layered materials exhibit strong light-matter interactions, remarkable excitonic effects, and ultrafast optical response, making them promising for high-speed on-chip nanophotonics. Recently, significant attention has been directed towards anisotropic 2D (A2DMs) with low in-plane crystal symmetry. These present unique properties dependent on polarization direction, offering additional degrees of freedom absent in conventional isotropic materials. In this review, we discuss recent progress understanding the fundamental aspects nanophotonic applications A2DMs. We cover structural characteristics linear/nonlinear A2DMs, including well-studied black phosphorus rhenium dichalcogenides, as well emerging quasi-one-dimensional Then, phenomena occurring such polarization-dependent dynamics charge carriers excitons, their direction-dependent spatiotemporal diffusion, photo-induced symmetry switching, coherent acoustic phonons. Furthermore, review state-of-the-art based polarization-driven active all-optical modulations pulse generations. This concludes by perspectives challenges future prospects A2DMs

Language: Английский

Citations

11
Photoinduced Long-Distance Charge Transfer in Silicanes: The Stacking Matters DOI
Guoying Yao, Ekadashi Pradhan, Zhenyu Yang

et al.

Nano Letters, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 13, 2025

The generation of interlayer charge transfer excitons upon photoexcitation is strongly desirable for two-dimensional (2D) materials stacked through van der Waals interactions. In this work, we investigate photoinduced in silicanes (SiH) with three typical stackings. A concept the regional natural hole orbital and its conjugated particle developed to characterize excited states solids. This method delivers bonding information about explains formation certain types nanomaterials. Utilizing tool, demonstrate that SiH 1H 6R stackings exhibits an distance reaches ∼10 Å under violet near-ultraviolet radiation. attributed overlap between orbitals at conduction band minimum, which disfavored by 3R stacking. Our findings suggest a new feasible approach tuning optoelectronic properties Group 14 2D altering their

Language: Английский

Citations

1
Insight into the stacking effect on shifted patterns of bilayer phosphorene: a comprehensive first-principles study DOI Creative Commons

Aswad Alhassan,

Ming Yu

Nanotechnology, Journal Year: 2024, Volume and Issue: 35(15), P. 155701 - 155701

Published: Jan. 10, 2024

Abstract It is crucial to deeply understand how the interlayer interaction acts on controlling structural and electronic properties of shifted patterns bilayer phosphorene. A comprehensive first-principles study phosphorene through relative translation along different directions has revealed that there a direct correlation between potential energy surface equilibrium distance. The shorter distance, lower surface. with most stable state, metastable transition state (with barrier ∼1.3 meV/atom) were found associated AB, δ , TS stacking configurations, respectively. high barriers, other hand, are ∼9.3 meV/atom at AA configuration zigzag pathway, ∼5.3 AB′ armchair ∼11.2 AA′ diagonal character bandgap respect shifting shows an anisotropic behavior value 0.69–1.22 eV). from indirect occurs under shifting, implying tunable by engineering. Furthermore, orbital hybridization interfacial region induces redistribution net charge (∼0.002–0.011 e ) layers, leading strong polarization stripe-like electron depletion near lone pairs accumulation in middle region. expected such interesting findings will provide fundamental reference analyze complex local twisted make promising for nanoelectronics as versatile shiftronics materials.

Language: Английский

Citations

5
Excited-state dynamics in condensed matter DOI
Qijing Zheng, Lili Zhang, Weibin Chu

et al.

Zhongguo kexue. Wulixue Lixue Tianwenxue, Journal Year: 2025, Volume and Issue: 55(10), P. 107001 - 107001

Published: April 28, 2025

Language: Английский

Citations

0
Nonadiabatic Molecular Dynamics with Subsystem Density Functional Theory: Application to Crystalline Pentacene DOI Creative Commons

Qingxin Zhang,

Xuecheng Shao, Wei Li

et al.

Journal of Physics Condensed Matter, Journal Year: 2024, Volume and Issue: 36(38), P. 385901 - 385901

Published: June 12, 2024

In this work, we report the development and assessment of nonadiabatic molecular dynamics approach with electronic structure calculations based on linearly scaling subsystem density functional method. The is implemented in an open-source embedded Quantum Espresso/Libra software specially designed for simulations extended systems. As proof applicability method to large condensed-matter systems, examine nonradiative relaxation excess excitation energy pentacene crystals simulation supercells containing more than 600 atoms. We find that increased structural disorder observed larger supercell models induces couplings states accelerates excited states. conduct a comparative analysis several quantum-classical trajectory surface hopping schemes, including two new methods proposed work (revised decoherence-induced instantaneous decoherence at frustrated hops). Most tested schemes suggest fast occurring timescales 0.7-2.0 ps range, but they significantly overestimate ground state recovery rates. Only modified simplified decay mixing yields notably slower 8-14 ps, inhibited recovery.

Language: Английский

Citations

3
Synergistic Effect of Lattice Distortion and Random On-Site Energies in 2D Materials DOI
Zongrui Pei

The Journal of Physical Chemistry C, Journal Year: 2024, Volume and Issue: 128(11), P. 4826 - 4831

Published: March 13, 2024

Two-dimensional quantum materials have attracted extensive attention since the discovery of single-layer graphene, partly due to exotic physical properties magic-angle twisted bilayer graphene. The nontrivial topology band structures plays an essential role in unique electronic strongly correlated electrons. Recently, structural amorphization was theoretically confirmed induce topological order─random local distortion results a random distribution electron interaction. Since and chemical doping can change on-site energies, we propose new Hamiltonian include randomness energies capture effect Anderson localization on emergence insulating phases. We find that promotes phases has synergistic with phase transition.

Language: Английский

Citations

1
Hunting for Monolayer Black Phosphorus with Photoluminescence Microscopy DOI Creative Commons

Chenghao Pan,

Yixuan Ma,

Quan Wan

et al.

Photonics, Journal Year: 2024, Volume and Issue: 11(9), P. 866 - 866

Published: Sept. 14, 2024

Monolayer black phosphorus (BP) holds great promise for naturally hyperbolic polaritons and correlated states in rectangular moiré superlattices. However, preparing identifying high-quality monolayer BP are challenging due to its instability high transparency, which limits extensive studies. In this study, we developed a method rapidly nondestructively crystal orientation simultaneously using modified photoluminescence (PL) microscopy. The optical contrast of has been significantly increased by at least twenty times compared previous reports, making it visible even on transparent substrate. polarization dependence also allows the situ determination orientation. Our study facilitates identification BP, expediting more research potential industrial applications material.

Language: Английский

Citations

1
Moiré magnetism and moiré excitons in twisted CrSBr bilayers DOI Creative Commons
Junyi Liu, Xu Zhang, Gang Lü

et al.

Proceedings of the National Academy of Sciences, Journal Year: 2024, Volume and Issue: 122(1)

Published: Dec. 31, 2024

Moiré excitons and moiré magnetism are essential to semiconducting van der Waals magnets. In this work, we perform a comprehensive first-principles study elucidate the interplay of electronic excitation in twisted magnetic CrSBr bilayers. We predict twist-induced quantum phase transition for interlayer coupling estimate critical twist angle below which with mixed ferromagnetic antiferromagnetic domains could emerge. Localized one-dimensional stable if is become unstable turns antiferromagnetic. Exciton energy modulation by magnons estimated dependence exciton oscillator strength on analyzed. An orthogonally bilayer revealed exhibit layer-dependent, anisotropic optical transitions. Electric field shown induce net moments excitons, endowing them exceedingly long lifetimes. Our work lays foundation using bilayers spintronic, optoelectronic, information applications.

Language: Английский

Citations

1
Dimensionality crossover for moiré excitons in twisted bilayers of anisotropic two-dimensional semiconductors DOI
Isaac Soltero, David A. Ruiz‐Tijerina

Physical review. B./Physical review. B, Journal Year: 2023, Volume and Issue: 108(20)

Published: Nov. 6, 2023

We study the energies and optical spectra of excitons in twisted bilayers anisotropic van der Waals semiconductors exhibiting moir\'e patterns, taking phosphorene as a case study. Leveraging scale separation between length exciton Bohr radii, we introduce continuous model for Wannier that incorporates spatial variation their binding energies. Our calculations reveal dimensionality crossover states, driven by combined dispersion potential anisotropies, from quantum dot lattices at twist angles $\ensuremath{\theta}<{\ensuremath{\theta}}_{*}$, to wire arrays $\ensuremath{\theta}>{\ensuremath{\theta}}_{*}$, with angle ${\ensuremath{\theta}}_{*}={4}^{\ensuremath{\circ}}$. identify clear signatures this dependence excitonic absorption spectra, which allows experimental verification our theoretical results through standard measurements. establish two-dimensional versatile solid-state platforms exploring bosonic correlations across different dimensionalities.

Language: Английский

Citations

0