Christopher Linderälv
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View article: Identifying high-energy electronic states of NV− centers in diamond
Identifying high-energy electronic states of NV− centers in diamond Open
The negatively charged nitrogen-vacancy center in diamond is a prototype photoluminescent point defect spin qubit with promising quantum technology applications, enabled by its efficient optical spin polarization and readout. Its low-lying…
View article: Optical line shapes of color centers in solids from classical autocorrelation functions
Optical line shapes of color centers in solids from classical autocorrelation functions Open
Color centers play key roles in, e.g., solid state lighting and quantum information technology. Here, we describe an approach for predicting the optical line shapes of such emitters based on direct sampling of the underlying autocorrelatio…
View article: Optical line shapes of color centers in solids from classical autocorrelation functions
Optical line shapes of color centers in solids from classical autocorrelation functions Open
Color centers play key roles in applications, including, e.g., solid state lighting and quantum information technology, for which the coupling between their optical and vibrational properties is crucial. Established methodologies for predi…
View article: Tuning the Through-Plane Lattice Thermal Conductivity in van der Waals Structures through Rotational (Dis)ordering
Tuning the Through-Plane Lattice Thermal Conductivity in van der Waals Structures through Rotational (Dis)ordering Open
It has recently been demonstrated that MoS2 with irregular interlayer rotations can achieve an extreme anisotropy in the lattice thermal conductivity (LTC), which is, for example, of interest for applications in waste heat manag…
View article: Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering
Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering Open
It has recently been demonstrated that MoS2 with irregular interlayer rotations can achieve an extreme anisotropy in the lattice thermal conductivity (LTC), which is for example of interest for applications in waste heat management in inte…
View article: Data and code for "Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering"
Data and code for "Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering" Open
This record contains neuroevolution potential (NEP) models for C, BN, and MoS2 that have been constructed to model the potential energy surfaces of these materials in the presence of interlayer rotations. It also contains databa…
View article: Data and code for "Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering"
Data and code for "Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering" Open
This record contains neuroevolution potential (NEP) models for C, BN, and MoS2 that have been constructed to model the potential energy surfaces of these materials in the presence of interlayer rotations. It also contains databa…
View article: High-Throughput Characterization of Transition Metal Dichalcogenide Alloys: Thermodynamic Stability and Electronic Band Alignment
High-Throughput Characterization of Transition Metal Dichalcogenide Alloys: Thermodynamic Stability and Electronic Band Alignment Open
Alloying offers a way to tune many of the properties of the transition metal dichalcogenide (TMD) monolayers. While these systems in many cases have been thoroughly investigated previously, the fundamental understanding of critical tempera…
View article: The moiré potential in twisted transition metal dichalcogenide bilayers
The moiré potential in twisted transition metal dichalcogenide bilayers Open
Moiré superlattices serve as a playground for emerging phenomena, such as localization of band states, superconductivity, and localization of excitons. These superlattices are large and are often modeled in the zero angle limit, which obsc…
View article: High-throughput characterization of transition metal dichalcogenide alloys: Thermodynamic stability and electronic band alignment
High-throughput characterization of transition metal dichalcogenide alloys: Thermodynamic stability and electronic band alignment Open
Alloying offers a way to tune many of the properties of the transition metal dichalcogenide (TMD) monolayers. While these systems in many cases have been thoroughly investigated previously, the fundamental understanding of critical tempera…
View article: Exciton landscape in van der Waals heterostructures
Exciton landscape in van der Waals heterostructures Open
van der Waals heterostructures consisting of vertically stacked transition-metal dichalcogenides (TMDs) exhibit a rich landscape of bright and dark intra- and interlayer excitons. In spite of a growing literature in this field of research,…
View article: Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations
Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations Open
Silicon carbide with optically and magnetically active point defects offers\nunique opportunities for quantum technology applications. Since interaction\nwith these defects commonly happens through optical excitation and\nde-excitation, a …
View article: Vibrational signatures for the identification of single-photon emitters in hexagonal boron nitride
Vibrational signatures for the identification of single-photon emitters in hexagonal boron nitride Open
Color centers in hexagonal boron nitride (h-BN) are among the brightest emission centers known, yet the origins of these emission centers are not well understood. Here, using first-principles calculations in combination with the generating…
View article: Luminescence Quenching via Deep Defect States: A Recombination Pathway via Oxygen Vacancies in Ce-Doped YAG
Luminescence Quenching via Deep Defect States: A Recombination Pathway via Oxygen Vacancies in Ce-Doped YAG Open
Luminescence quenching via nonradiative recombination channels limits the efficiency of optical materials such as phosphors and scintillators and therefore has implications for conversion efficiency and device lifetimes. In materials such …
View article: Tunable Phases of Moiré Excitons in van der Waals Heterostructures
Tunable Phases of Moiré Excitons in van der Waals Heterostructures Open
Stacking monolayers of transition metal dichalcogenides into a heterostructure with a finite twist-angle gives rise to artificial moiré superlattices with a tunable periodicity. As a consequence, excitons experience a periodic potential, w…
View article: Everything is imperfect: Studies on point defects in insulators
Everything is imperfect: Studies on point defects in insulators Open
Point defects can be detrimental or absolutely necessary for the performance of a material. Due to the implications defectshave on a material, defects have been widely studied over the last century. However, there are plenty of open questi…
View article: Interlayer exciton dynamics in van der Waals heterostructures
Interlayer exciton dynamics in van der Waals heterostructures Open
Atomically thin transition metal dichalcogenides can be stacked to van der Waals heterostructures enabling the design of new materials with tailored properties. The strong Coulomb interaction gives rise to interlayer excitons, where electr…
View article: Impact of strain on the excitonic linewidth in transition metal dichalcogenides
Impact of strain on the excitonic linewidth in transition metal dichalcogenides Open
Monolayer transition metal dichalcogenides (TMDs) are known to be highly\nsensitive to externally applied tensile or compressive strain. In particular,\nstrain can be exploited as a tool to control the optical response of TMDs.\nHowever, t…
View article: Resistivity Anomaly in Weyl Semimetal candidate Molybdenum Telluride
Resistivity Anomaly in Weyl Semimetal candidate Molybdenum Telluride Open
The Weyl semi-metal candidate MoTe$_{2}$ is expected to exhibit a range of exotic electronic transport properties. It exhibits a structural phase transition near room temperature that is evident in the thermal hysteresis in resistivity and…