Related papers: Strain Engineering for Transition Metal Defects in…
We present a systematic first-principles study of substitutional 3d transition-metal (TM) defects in CsPbI3 using the spin-polarized GGA+U framework. TM incorporation is generally energetically favorable and induces lattice distortions that…
Strain presents a straightforward tool to tune electronic properties of atomically thin nanomaterials that are highly sensitive to lattice deformations. While the influence of strain on the electronic band structure has been intensively…
Strain is commonly used in metal-oxide-semiconductor technologies to boost on-state performance. This booster has been in production for at least a decade. Despite this, a systematic study of the impact of strain on off-state leakage…
Hybrid spin-mechanical systems provide a platform for integrating quantum registers and transducers. Efficient creation and control of such systems require a comprehensive understanding of the individual spin and mechanical components as…
Although point defects in solids are one of the most promising physical systems to build functioning qubits, it remains challenging to position them in a deterministic array and to integrate them into large networks. By means of advanced ab…
Spin defects in wide-band gap semiconductors are promising systems for the realization of quantum bits, or qubits, in solid-state environments. To date, defect qubits have only been realized in materials with strong covalent bonds. Here, we…
This work reports the strain effect on the electrical properties of highly doped n-type single crystalline cubic silicon carbide (3C-SiC) transferred onto a 6-inch glass substrate employing an anodic bonding technique. The experimental data…
Neutral silicon-carbon divacancy (V$_{Si}$V$_{C}$) in cubic silicon carbide (3C-SiC) is a promising class of point defects for quantum technologies based on active crystalline centers. Within the theoretical framework of spin-polarized…
Strain can be used as an effective tool to tune the crystal structure of materials and hence to modify their electronic structures, including topological properties. Here, taking Na3Bi as a paradigmatic example, we demonstrated with…
We investigate the effect of SiC stacking on the 4H-SiC/SiO$_2$ interface, both in the presence and absence of O defects, which appear during thermal oxidation, via first principles calculations. It is known that 4H-SiC(0001) has two…
Quantum systems can provide outstanding performance in various sensing applications, ranging from bioscience to nanotechnology. Atomic-scale defects in silicon carbide are very attractive in this respect because of the technological…
Fluorescent paramagnetic defects in solids have become attractive systems for quantum information processing in the recent years. One of the leading contenders is the negatively charged nitrogen-vacancy defect in diamond with visible…
Silicon carbide (SiC) hosts a number of point defects that are being explored as single-photon emitters for quantum applications. Unfortunately, these quantum emitters lose their photostability when placed in proximity to the surface of the…
Surface defects created and probed with scanning tunneling microscopes are a promising platform for atomic-scale electronics and quantum information technology applications. Using first-principles calculations we demonstrate how to engineer…
The neutral silicon--vacancy (SiV$^{0}$) center in diamond combines inversion symmetry with optical emission, making it a robust quantum emitter resilient to stray electric fields. Using first-principles density-functional theory, we…
The proper functioning of some micro-fabricated novel quantum devices, such as superconducting resonators and qubits, is severely affected by the presence of parasitic structural material defects known as tunneling two-level-systems (TLS).…
Recent experiments shown that graphene epitaxially grown on Silicon Carbide (SiC) can exhibit a energy gap of 0.26 eV, making it a promising material for electronics. With an accurate model, we explore the design parameter space for a fully…
Lattice mismatch in layered semiconductor structures with submicron length scales leads to extremely high nonuniform strains. This paper presents a finite element technique for incorporating the effects of the nonuniform strain into an…
Strain engineering is one of the key technologies for using graphene as an electronic device: the strain-induced pseudo-gauge field reflects Dirac electrons, thus opening the so-called conduction gap. Since strain accumulates in…
Single-layer transition metal dichalcogenides (TMDCs) can adopt two distinct structures corresponding to different coordination of the metal atoms. TMDCs adopting the T-type structure exhibit a rich and diverse set of phenomena, including…