The perceptible appearance of biomolecules as prospective building blocks in the architecture of coordination polymers (CPs) and metal-organic frameworks (MOFs) are redolent of their inclusion in the synthon/tecton library of reticular chemistry. In this frame, for the first time a synthetic strategy has been established for amine derivatization in amino acids into 1,2,4-triazoles. A set of nov...

Single crystals of the title compound, calcium neodymium ruthenate, (Ca(x)Nd(11-x))Ru(4)O(24) (x = 4.175), have been grown by the flux method. The structure consists of two crystallographically independent RuO(6) octa-hedra, which are isolated from each other and embedded in a matrix composed of the Ca and Nd atoms. There are seven M sites which accommodate the Ca and Nd atoms with different po...

We propose the tensor Kronecker product singular value decomposition (TKPSVD) that decomposes a real k-way tensor A into a linear combination of tensor Kronecker products with an arbitrary number of d factors A = ∑R j=1 σj A (d) j ⊗ · · · ⊗ A (1) j . We generalize the matrix Kronecker product to tensors such that each factor A j in the TKPSVD is a k-way tensor. The algorithm relies on reshaping...

Despite their ionic nature, many layered diatomic crystals avoid internal electric polarization by forming a centrosymmetric lattice at optimal anti-parallel van-der-Waals stacking. Here, we report stable ferroelectric order emerging the interface between two naturally-grown flakes of hexagonal-boron-nitride, which are stacked together in metastable non-centrosymmetric parallel orientation. We ...

Two unique series of lanthanide complexes [Ln(Ph3PO)4(NCS)3] (Ln = La-Tb, except Pm) and [Ln(Ph3PO)3(NCS)3] Sm-Lu, Y) have been structurally characterised. The isomorphous crystallises in the monoclinic centrosymmetric space group P21/c, metals display a capped octahedral coordination geometry. In contrast, crystallise non-centrosymmetric R3, with metal displaying an geometry; fac-isomer being ...

The microscopic mechanism of the occurrence ferroelectric properties in M-type barium hexaferrites is investigated by experimental and first-principle computation methods. analysis magnetic, X-ray, Mössbauer measurements BaFe12O19 samples ascertains correlation between thermal factor process annealing their functional properties. remnant polarization at room temperature contradicts description ...

Aiming at the problem of quantifying composition complex fracture network and activation after fracturing, a model weak plane with prefabricated structure is established based on finite element method, global embedded cohesive zone (CZM), real shale outcrop. Considering influence fully coupled stress/fluid, effects azimuth, horizontal stress difference, fracturing fluid viscosity, injection rat...

the matrix functions appear in several applications in engineering and sciences. the computation of these functions almost involved complicated theory. thus, improving the concept theoretically seems unavoidable to obtain some new relations and algorithms for evaluating these functions. the aim of this paper is proposing some new reciprocal for the function of block anti diagonal matrices. more...

Recent study (Yuan et. al., Phys. Rev. B 102, 014422 (2020)) revealed a SOC-independent spin splitting and polarization effect induced by antiferromagnetic ordering which do not necessarily require breaking of inversion symmetry or the presence SOC, hence can exist even in centrosymmetric, low-Z light element compounds, considerably broadening material base for polarization. In present work we ...

The hedgehog lattice (HL) is a three-dimensional topological spin texture hosting periodic array of magnetic monopoles and antimonopoles. It has been studied theoretically for noncentrosymmetric systems with the Dzyaloshinskii–Moriya interaction, but stability, as well properties, remains elusive in centrosymmetric case. We here investigate ground state an effective model long-range bilinear bi...