Related papers: Temperature and thickness dependence of the therma…
Using first-principles modeling, we investigate how phonon transport evolves in layered/van der Waals materials when going from 3D to 2D, or vice versa, by gradually pulling apart the atomic layers in graphite to form graphene. Focus is…
The lattice thermal expansion and conductivity in bulk Mo and W-based transition metal dichalcogenides are investigated by means of density functional and Boltzmann transport theory calculations. To this end, a recent van der Waals density…
We study the thermal transport properties of three CaF$_{2}$ polymorphs up to a pressure of 30 GPa using first-principle calculations and an interatomic potential based on machine learning. The lattice thermal conductivity $\kappa$ is…
Two-dimensional (2D) van der Waals ferromagnets have potential applications as next-generation spintronic devices and provide a platform to explore the fundamental physics behind 2D magnetism. The dual nature (localized and itinerant) of…
The layered van der Waals ferromagnetic Fe$_3$GeTe$_2$ harbours an unconventional interplay between topology and magnetism, leading to a large anomalous Hall conductivity at low temperatures. Here, we investigate the temperature dependence…
The development of good thermoelectric materials exhibiting high $ZT$ (=$\frac{PF}{\kappa} T$) requires maximizing power factor, $PF$, mainly governed by electrons, and minimizing thermal conductivity, $\kappa$, associated not only with…
Layered van der Waals (vdW) magnets are prominent playgrounds for developing magnetoelectric, magneto-optic and spintronic devices. In spintronics, particularly in spincaloritronic applications, low thermal conductivity ($\kappa$) is highly…
We report the discovery of temperature-invariant ultralow thermal conductivity ($\kappa$) in monolayer $\beta'$-In$_2$Se$_3$, a two-dimensional ferroelectric crystal with in-plane polarization. Using a combination of generalized Wigner…
In conventional metals, thermal transport is governed by electrons, with phonon contributions often considered negligible. Here, through rigorous first-principles calculations, we uncover a phonon-dominated thermal transport regime in the…
The challenging task of scaling-down the size of the power saving electronic devices can be accomplished by exploiting the spin degree of freedom of the conduction electrons in van der Waals (vdW) spintronic architectures built with 2D…
The proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity $\kappa$. However, the $\kappa$ of GeTe…
The mechanical properties of two-dimensional materials are important for a wide range of applications including composite and van der Waals-materials, flexible electronics and superconductivity. Several aspects are highly debated in the…
The unexpected discovery of intrinsic ferromagnetism in layered van der Waals materials has sparked interest in both their fundamental properties and their potential for novel applications. Recent studies suggest near room-temperature…
We report the emergence of a two-dimensional (2D) polar metal phase in van der Waals compound FePSe$_3$ under moderate pressures. This layered material is a Mott insulator with antiferromagnetic order under ambient conditions. We show that…
For the development of nanoscale electronics and photonics using atomically thin two-dimensional (2D) materials, it is important to realize van der Waals (vdW) interfaces with low thermal resistance, to minimize performance reduction caused…
Recent advancements in 2D magnetic materials have attracted a growing interest driven by their unique properties and potential applications in spintronic devices. However, the scarcity of systems that exhibit magnetism at room-temperature…
Here, we provide a detailed study of the crystal structure and physical properties of the recently discovered vdW ferromagnet FePd$_2$Te$_2$. We find this compound has a relatively wide width of formation, and grow single crystals with…
Material research has been a major driving force in the development of modern nano-electronic devices. In particular, research in magnetic thin films has revolutionized the development of spintronic devices; identifying new magnetic…
We have measured the thermal conductivity in the ab-plane, $\kappa$ab, and along the c-axis, $\kappa$c, of single crystals of the S = 1/2 triangular-lattice antiferromagnet Ba3CoSb2O9 in zero field and magnetic fields. In zero field, it has…
The van der Waals ferromagnet Fe$_3$GeTe$_2$ has recently attracted extensive research attention due to its intertwined magnetic, electronic and topological properties. Here, using high-resolution angle-resolved photoemission spectroscopy,…