Experimental and first-principles study of point defects, domain walls, and point-defect/domain-wall interactions in ferroelectric oxides

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Hubbard-corrected density-functional theory has proven to be successful in addressing self-interaction errors in 3D magnetic materials. However, the effectiveness of this approach for 2D magnetic materials has not been extensively explored. Here, we use PB ...

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

Complex oxide heterointerfaces contain a rich playground of novel physical properties and functionalities, which give rise to emerging technologies. Among designing and controlling the functional properties of complex oxide film heterostructures, verticall ...

The helical magnetic structures of cubic chiral systems are well explained by the competition among Heisen-berg exchange, Dzyaloshinskii-Moriya interaction, cubic anisotropy, and anisotropic exchange interaction (AEI). Recently, the role of the latter has ...

Materials with field-tunable polarization are of broad interest to condensed matter sciences and solid-state device technologies. Here, using hydrogen (H) donor doping, we modify the room temperature metallic phase of a perovskite nickelate NdNiO3 into an ...

Sensing and imaging of light in the shortwave infrared (SWIR) range is increasingly used in various fields, including bio-imaging, remote sensing, and semiconductor process control. SWIR-sensitive organic photodetectors (OPDs) are promising because organic ...

We show that including pairing and repulsion into the description of one-dimensional spinless fermions, as in the domain wall theory of commensurate melting or the interacting Kitaev chain, leads, for strong enough repulsion, to a line of critical points i ...

Control of nanomaterial dimensions with atomic precision through synthetic methods is essential to understanding and engineering of nanomaterials. For single-layer inorganic materials, size and shape controls have been achieved by self-assembly and surface ...

We present a numerical study of three fully baffled L-mode TCV discharges with three different values of the outer strike-point major radius/total flux expansion, showing that the beneficial effect of large strike point radius is partially screened in thes ...

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

In this thesis, we conduct a comprehensive investigation into structural instabilities of both elastic and magneto-elastic beams and shells, resulting in a creative proposal to design a programmable braille reader. Methodologically, we combine numerical si ...

On-surface synthesis has become a prominent method for growing low-dimensional carbon-based nanomaterials on metal surfaces. However, the necessity of decoupling organic nanostructures from metal substrates to exploit their properties requires either trans ...

Nanostructured graphitic materials, including graphene hosting Å to nanometer-sized pores, have attracted attention for various applications such as separations, sensors, and energy storage. Graphene with Å-scale pores is a promising next-generation materi ...

Layered halide perovskites (LHPs) are emerging semiconductor materials due to their superior environmental stability compared to that of traditional halide perovskites. While LHPs have tunable optoelectronic properties, quantum and dielectric confinement e ...

There is a never-ending push for electronic systems to provide faster operation speeds, higher energy efficiencies, and higher power capabilities at smaller scales. These requirements are apparent in different areas of electronics, from radiofrequency (RF) ...

A common method for creating compliant electrodes for dielectric elastomer actuators (DEAs) and soft sensors is to incorporate electrically conductive carbon particles into a polymer matrix. However, using unidirectional aligned carbon fibers instead not o ...

We report a combined polarized and unpolarized neutron diffraction study on a multiferroic Sr2CoSi2O7 (SCSO) single crystal below and above the antiferromagnetic ordering temperature TN = 6.5 K. Unpolarized neutron diffraction measurements at 15 K confirm ...

Experimental and first-principles study of point defects, domain walls, and point-defect/domain-wall interactions in ferroelectric oxides

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On-site and intersite Hubbard corrections in magnetic monolayers: The case of FePS3 and CrI3

Efficient and insightful descriptors for representing molecular and material space

Controlled Electronic and Magnetic Landscape in Self-Assembled Complex Oxide Heterostructures

Direct observation of exchange anisotropy in the helimagnetic insulator Cu2OSeO3

Hydrogen-induced tunable remanent polarization in a perovskite nickelate

Shortwave Infrared-Sensitive, Narrowband Organic Upconversion Devices with a Gain

Eight-vertex criticality in the interacting Kitaev chain

Controlled Formation of Nanoribbons and Their Heterostructures via Assembly of Mass-Selected Inorganic Ions

Numerical study of fully baffled Super-X L-mode discharges on TCV

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Instabilities in Elastic and Magneto-Elastic Beams and Shells: from Shell Buckling to the Design of a Programmable Braille Reader

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface

Mechanistic study on the evolution of vacancies in graphene by oxidation by scanning tunneling microscopy

Decoupling Interlayer Spacing and Cation Dipole on Exciton Binding Energy in Layered Halide Perovskites

New ultrahigh-speed device concepts: from THz nanoplasma devices to glass-like electronics for neuromorphic computation

Highly anisotropic carbon fiber electrodes for DEAs and their dynamic non-monotonic conductive properties

Magnetic structure of the two-dimensional XY antiferromagnet Sr2CoSi2O7 studied using single-crystal neutron diffraction