Related papers: Comment on "Atomic Scale Structure and Chemical Co…
The spontaneous organization of particles at the boundary between two fluids is a common occurrence. Scientists have extensively investigated various internal and external factors to manipulate and guide these self-assembly processes. This…
Two-dimensional van der Waals (vdW) materials hold the potential for ultra-scaled ferroelectric (FE) devices due to their silicon compatibility and robust polarization down to atomic scale. However, the inherently weak vdW interactions…
Al$_x$Ga$_{1-x}$N alloys are essential for high-performance optoelectronic and power devices, yet the role of composition on defect energetics remains underexplored, largely due to the limitations of first-principles methods in modeling…
High-temperature superconductivity confined to nanometer-size interfaces has been a long standing goal because of potential applications^{1,2} and the opportunity to study quantum phenomena in reduced dimensions^{3,4}. However, this is a…
Perovskite transition-metal oxides are networks of corner-sharing octahedra whose tilts and distortions are known to affect their electronic and magnetic properties. We report calculations on a model interfacial structure to avoid chemical…
Highly periodic structures are often said to convey the beauty of nature. However, most material properties are strongly influenced by the defects they contain. On the mesoscopic scale, molecular self-assembly exemplifies this interplay;…
The understanding of tribo- and electro-chemical phenomenons on the molecular level at a sliding interface is a field of growing interest. Fundamental chemical and physical insights of sliding surfaces are crucial for understanding wear at…
Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput approach for optimal interface design. Here we introduce a…
The nuclear symmetry energy plays an important role in the description of the properties of finite nuclei as well as neutron stars. Especially, for low values of baryon density, the accurate description of the crust-core interface strongly…
The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…
A coarse grained description of a two phase fluid is used to study the steady state configuration of the interface separating the coexisting phases, and the motion of the contact line at which the interface intersects a solid boundary. The…
Superconductivity at oxide interfaces has intrigued researchers for decades, yet the underlying pairing mechanism remains elusive. Here we demonstrate that proximity to a ferroelectric quantum critical point dramatically enhances…
The secondary phase, such as Ni$_3$Al-based $L1_2$ $\gamma^\prime$, is crucially important for precipitation strengthening of superalloys. Composition-structure-property relations provide useful insights for guided alloy design. Here we use…
We develop a robust and versatile platform to define nanostructures at oxide interfaces via patterned top gates. Using LaAlO$_3$/SrTiO$_3$ as a model system, we demonstrate controllable electrostatic confinement of electrons to nanoscale…
We report anomalous behavior in the energy dispersion of a three-electron double-quantum-dot hybrid qubit and argue that it is caused by atomic-scale disorder at the quantum-well interface. By employing tight-binding simulations, we…
The physics of oxide superlattices is considered for pristine (001) multilayers of the band insulators LaAlO3 and SrTiO3 with alternating p and n interfaces. First principles results and a model of capacitor plates offer a simple paradigm…
The near-rapid solidification conditions during additive manufacturing can lead to selection of non-equilibrium phases. Sharp interface models via interface response functions have been used earlier to explain the microstructure selection…
The design of complex materials and the formation of specific patterns often arise from the properties of the individual building blocks. In this respect, colloidal systems offer a unique opportunity because nowadays they can be synthesized…
The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…
Understanding the way disordered particle packings transition between jammed (rigid) and unjammed (fluid) states is of both great practical importance and strong fundamental interest. The values of critical packing fraction (and other state…