Mao‐Hua Du
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View article: A new fidelity of quantum channel evolution and its geometric interpretation
A new fidelity of quantum channel evolution and its geometric interpretation Open
Fidelity is crucial for characterizing transformations of quantum states under various quantum channels, which can be served as a fundamental tool in resource theories. Firstly, we define an $α$-$z$-fidelity as a significant quantity in qu…
View article: Procedures for Assessing the Stability of Proposed Topological Materials
Procedures for Assessing the Stability of Proposed Topological Materials Open
Here, we investigate the stability of MnPb2Bi2Te6 (MPBT), which is predicted to be a magnetic topological insulator (TI), using density functional theory calculations. Our analysis includes various measures such as enthalpies of formation,…
View article: Procedures for assessing the stability of proposed topological materials
Procedures for assessing the stability of proposed topological materials Open
We investigate the stability of MnPb$_{2}$Bi$_{2}$Te$_{6}$ (MPBT), which is predicted to be a magnetic topological insulator (TI), using density functional theory calculations. Our analysis includes various measures such as enthalpies of f…
View article: Non-volatile electric control of magnetic and topological properties of MnBi<sub>2</sub>Te<sub>4</sub> thin films <sup>*</sup>
Non-volatile electric control of magnetic and topological properties of MnBi<sub>2</sub>Te<sub>4</sub> thin films <sup>*</sup> Open
In this letter, we propose a mechanism to control the magnetic properties of topological quantum material (TQM) by using magnetoelectric coupling: this mechanism uses a heterostructure of TQM with two-dimensional (2D) ferroelectric materia…
View article: Native and radiation induced point defects in AlN and Sc-doped AlN
Native and radiation induced point defects in AlN and Sc-doped AlN Open
Herein, we have performed first-principles calculations to investigate the electronic structure, configurations, formation, and binding energies of native and radiation induced point defects in pristine and Sc-doped wurtzite AlN. For the n…
View article: Surface‐Driven Evolution of the Anomalous Hall Effect in Magnetic Topological Insulator MnBi<sub>2</sub>Te<sub>4</sub> Thin Films (Adv. Funct. Mater. 28/2022)
Surface‐Driven Evolution of the Anomalous Hall Effect in Magnetic Topological Insulator MnBi<sub>2</sub>Te<sub>4</sub> Thin Films (Adv. Funct. Mater. 28/2022) Open
Magnetic Topological Insulators Targeted modification of properties is crucial to engineer novel phenomena such as the quantum anomalous Hall effect. In article number 2202234, Gyula Eres, Matthew Brahlek, and co-workers show that the anom…
View article: CSD 1955726: Experimental Crystal Structure Determination
CSD 1955726: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Front Cover: (C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)<sub>2</sub>MBr<sub>4</sub> (M=Cu, Zn): X‐Ray Sensitive 0D Hybrid Metal Halides with Tunable Broadband Emission (Eur. J. Inorg. Chem. 10/2022)
Front Cover: (C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)<sub>2</sub>MBr<sub>4</sub> (M=Cu, Zn): X‐Ray Sensitive 0D Hybrid Metal Halides with Tunable Broadband Emission (Eur. J. Inorg. Chem. 10/2022) Open
The Front Cover shows a single crystal of a novel hybrid organic-inorganic halide material (DMAP)2ZnBr4. (DMAP)2ZnBr4 and its relative (DMAP)2CuBr4 feature a zero-dimensional (0D) pseudo-layered crystal structure with highly segregated mol…
View article: CCDC 2115746: Experimental Crystal Structure Determination
CCDC 2115746: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2115745: Experimental Crystal Structure Determination
CCDC 2115745: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Photophysical properties of zero-dimensional perovskites studied by PBE0 and GW+BSE methods
Photophysical properties of zero-dimensional perovskites studied by PBE0 and GW+BSE methods Open
Due to the exceptional photophysical properties and great potential applications in solid state lighting, zero-dimensional halide perovskites with broadband emitting have recently attracted much attention. In this work, to reveal the origi…
View article: CCDC 2092025: Experimental Crystal Structure Determination
CCDC 2092025: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2092022: Experimental Crystal Structure Determination
CCDC 2092022: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2092023: Experimental Crystal Structure Determination
CCDC 2092023: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2092024: Experimental Crystal Structure Determination
CCDC 2092024: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Role of Polycyclic Aromatic Alkylammonium Cations in Tuning the Electronic Properties and Band Alignment of Two-Dimensional Hybrid Perovskite Semiconductors
Role of Polycyclic Aromatic Alkylammonium Cations in Tuning the Electronic Properties and Band Alignment of Two-Dimensional Hybrid Perovskite Semiconductors Open
Two-dimensional hybrid organic-inorganic perovskites (HOIPs) have recently drawn intense attention as potential photovoltaic materials. However, n = 1 two-dimensional (2D) HOIPs face the challenge of low conductivity between the inorganic …
View article: Composition‐Dependent Photoluminescence Properties and Anti‐Counterfeiting Applications of A<sub>2</sub>AgX<sub>3</sub> (A = Rb, Cs; X = Cl, Br, I)
Composition‐Dependent Photoluminescence Properties and Anti‐Counterfeiting Applications of A<sub>2</sub>AgX<sub>3</sub> (A = Rb, Cs; X = Cl, Br, I) Open
Copper(I) halides are emerging as attractive alternatives to lead halide perovskites for optical and electronic applications. However, blue‐emitting all‐inorganic copper(I) halides suffer from poor stability and lack of tunability of their…
View article: Metal Halide Scaffolded Assemblies of Organic Molecules with Enhanced Emission and Room Temperature Phosphorescence
Metal Halide Scaffolded Assemblies of Organic Molecules with Enhanced Emission and Room Temperature Phosphorescence Open
Ionically bonded organic metal halide hybrids have emerged as versatile multicomponent material systems exhibiting unique and useful properties. The unlimited combinations of organic cations and metal halides lead to the tremendous structu…
View article: Design of High-Performance Lead-Free Quaternary Antiperovskites for Photovoltaics via Ion Type Inversion and Anion Ordering
Design of High-Performance Lead-Free Quaternary Antiperovskites for Photovoltaics via Ion Type Inversion and Anion Ordering Open
The emergence of halide double perovskites significantly increases the compositional space for lead-free and air-stable photovoltaic absorbers compared to halide perovskites. Nevertheless, most halide double perovskites exhibit oversized b…
View article: CSD 2031391: Experimental Crystal Structure Determination
CSD 2031391: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2031392: Experimental Crystal Structure Determination
CSD 2031392: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: (NH<sub>4</sub>)<sub>2</sub>AgX<sub>3</sub> (X = Br, I): 1D Silver Halides with Broadband White Light Emission and Improved Stability
(NH<sub>4</sub>)<sub>2</sub>AgX<sub>3</sub> (X = Br, I): 1D Silver Halides with Broadband White Light Emission and Improved Stability Open
Recently, ternary copper(I) halides have emerged as alternatives to lead halide perovskites for light emission applications. Despite their high-efficiency photoluminescence (PL) properties, most copper(I) halides are blue emitters with unu…
View article: Hierarchical excitations from correlated spin tetrahedra on the breathing pyrochlore lattice
Hierarchical excitations from correlated spin tetrahedra on the breathing pyrochlore lattice Open
The hierarchy of the coupling strengths in a physical system often engenders an effective model at low energies where the decoupled high-energy modes are integrated out. Here, using neutron scattering, we show that the spin excitations in …
View article: Erratum: Intrinsic Defect Properties in Halide Double Perovskites for Optoelectronic Applications [Phys. Rev. Applied 10, 041001 (2018)]
Erratum: Intrinsic Defect Properties in Halide Double Perovskites for Optoelectronic Applications [Phys. Rev. Applied 10, 041001 (2018)] Open
Received 6 January 2021DOI:https://doi.org/10.1103/PhysRevApplied.15.019901© 2021 American Physical SocietyPhysics Subject Headings (PhySH)Research AreasElectronic structureOptoelectronicsPoint defectsVacanciesPhysical SystemsPerovskitePho…
View article: Zero-Dimensional Hybrid Organic–Inorganic Indium Bromide with Blue Emission
Zero-Dimensional Hybrid Organic–Inorganic Indium Bromide with Blue Emission Open
Low-dimensional hybrid organic-inorganic metal halides have received increased attention because of their outstanding optical and electronic properties. However, the most studied hybrid compounds contain lead and have long-term stability i…