Related papers: Block Copolymer Double Diamond Twin
A general symmetry-controlled mechanism is proposed for realizing dual flat-bands of bound state in the continuum (BIC) and its radiative counterpart in photonic crystal slabs. By breaking the vertical mirror symmetry of slab,…
The Leibler weak segregation theory in molten diblock copolymers is generalized with due regard for the 2nd shell harmonics contributions defined in the paper and the phase diagrams are built for the linear and miktoarm ternary ABC triblock…
The state-of-the-art defect engineering techniques have paved the way to realize novel quantum phases out of pristine materials. Here, through density-functional calculations and model studies, we show that the chain-doped monolayer…
Block tensor decomposition (BTD) and canonical polyadic decomposition (CPD) are combined into a unified $O(N^3)$-scaling framework for second-order perturbation theory (PT2), demonstrated on MP2 and renormalized PT2 (rPT2). BTD constructs…
Transition metal dichalcogenides (TMDs) are quasi-two-dimensional layered compounds exhibiting strongly competing charge-density wave (CDW) and superconducting (SC) order parameters (OPs). The weak van der Waals interlayer bonding between…
Nuclear matter is considered to be inhomogeneous at subnuclear densities that are realized in supernova cores and neutron star crusts, and the structures of nuclear matter change from spheres to cylinders, slabs, cylindrical holes and…
Supramolecular block copolymers (SBC) consist of covalent polymer building blocks that are connected into well-defined architectures via supramolecular bonds. Assisted by the dynamic and reversible supramolecular interactions, it is…
The zero-temperature phase diagram of binary mixtures of particles interacting via a screened Coulomb pair potential is calculated as a function of composition and charge ratio. The potential energy obtained by a Lekner summation is…
Two-dimensional (2D) diamond has aroused tremendous interest in nanoelectronics and optoelectronics, owing to its superior properties and flexible characteristics compared to bulk diamond. Despite significant efforts, great challenges lie…
Twisted graphene moire superlattice has been demonstrated as an exotic platform for investigating correlated states and nontrivial topology. Among the moire family, twisted double bilayer graphene (TDBG) is a tunable flat band system…
We obtain parameters for non-orthogonal and orthogonal TB models from two-atomic molecules for all combinations of elements of period 1 to 6 and group 3 to 18 of the periodic table. The TB bond parameters for 1711 homoatomic and…
Motivated by recent experiments demonstrating the creation of atomically sharp interfaces between hexagonal sapphire and cubic SrTiO$_3$ with finite twist, we here develop and study a general electronic band theory for this novel class of…
The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-number-based collective variables and SNAP machine-learned…
The microphase separated morphology of a melt of a specific class of comb-coil diblock copolymers, consisting of an AB comb block and a linear homopolymer A block, is analyzed in the weak segregation limit. On increasing the length of the…
Low-dimensional materials have emerged as promising hosts for quantum emitters, whose emission typically arises from either strain-induced band bending or defect-induced two-level systems. Among these materials, transition metal…
We apply inverse statistical-mechanical methods to find a simple family of optimized isotropic, monotonic pair potentials, under certain constraints, whose ground states for a wide range of pressures is the diamond crystal. These…
In this paper, three novel metallic sp2/sp3 -hybridized Boron Nitride (BN) polymorphs are proposed by first-principles calculations. One of them, named as tP-BN, is predicted based on the evolutionary particle swarm structural search. tP-BN…
The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a super lattice, called a moir\'e pattern, which can alter…
Cavity-optomechanical systems realized in single-crystal diamond are poised to benefit from its extraordinary material properties, including low mechanical dissipation and a wide optical transparency window. Diamond is also rich in…
We report synthesis of non-centrosymmetric BiPd single crystal by self flux method. The BiPd single crystal is crystallized in monoclinic structure with the P21 space group. Detailed SEM (Scanning Electron Microscopy) results show that the…