相关论文: A hard metallic material: Osmium Diboride
Based on the matrix representation of octonion algebra, supplied with specific multiplication rule, the model of electroweak and gravitational interactions is built up. While electroweak interaction in this model is induced by charged…
We demonstrate an enhancement of the spin-orbit coupling in silicon (Si) thin films by doping with bismuth (Bi), a heavy metal, using ion implantation. Quantum corrections to conductance at low temperature in phosphorous-doped Si before and…
Considerable excitement has been caused recently by the discovery that the binary boride system with stoichiometry MgB2 is superconducting at the remarkably high temperature of 39 K (1). This potentially opens the way to even higher Tc…
We use an atom-atom potential between carbon atoms to obtain an interaction potential between nanotubes (assumed rigid), thereby calculating the cohesive energy of a bunch of nanotubes in hexagonal two dimensional packing. The model…
The development of advanced materials with high specific energy is crucial for enabling sustainable energy storage solutions, particularly in applications such as lithium-air batteries. Lithium peroxide (Li$_{2}$O$_{2}$) is a key discharge…
The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural optimization of Ti2SiB…
Transition metal oxides such as vanadium dioxide (VO$_2$), niobium dioxide (NbO$_2$), and titanium sesquioxide (Ti$_2$O$_3$) are known to undergo a temperature-dependent metal-insulator transition (MIT) in conjunction with a structural…
The Rashba effect, which plays a crucial role in fundamental materials physics and potential spintronics applications, has been engineered in diverse systems, including semiconductor quantum wells, oxide heterostructures, metallic surfaces,…
The sensitive dependence of electronic and thermoelectric properties of MoS$_2$ on the applied strain opens up a variety of applications in the emerging area of straintronics. Using first principles based density functional theory…
Based on electronic structure calculations, we have found that noble metal diborides, AgB2 and AuB2, are potential candidates for conventional BCS-type high temperature superconductors. B 2p density of states dominates at the Fermi level in…
Boron rich chalcogenides have been predicted to have excellent properties for optical and mechanical applications in recent times. In this regard, we report the electronic, optical and mechanical properties of recently synthesized boron…
Density functional theory calculations have been used to identify stable layered Li-$M$-B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithium monoboride superconductor. We show that the MS lithium…
The crystal structure, superconducting properties, and electronic structure of a novel superconducting 122-type antimonide, BaPt$_2$Sb$_2$, have been investigated by measurements of powder X-ray diffraction patterns, electrical resistivity,…
Most functional materials possess one single outstanding property and are limited to be used for a particular purpose. Instead of integrating materials with different functions into one module, designing materials with controllable…
Transition metal dichalcogenides exhibit multiple polymorphs that enable the exploration of diverse quantum states, including valley-selective spin polarization, the valley Hall effect, Ising superconductivity, and nontrivial topology.…
Systematic investigation of atomic structure of N-ion implanted TiO2 (thin films and bulk ceramics) was performed by XPS measurements (core levels and valence bands) and first-principles density functional theory (DFT) calculations. In bulk…
The spin-orbit interaction in heavy hole gas formed at $p$-doped semiconductor heterojunctions and electron gas at {\mbox SrTiO}${}_3$ surfaces is cubic in momentum. Here we report magnetotransport properties of k-cubic Rashba spin-orbit…
Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization…
We have performed a detailed analysis of the magnetic (collinear and noncollinear) order and atomic and the electron structures of UO2, PuO2 and UN on the basis of density functional theory with the Hubbard electron correlation correction…
High energy milling of MgB2 pre-reacted powder renders the material largely amorphous through extreme mechanical deformation and is suitable for mechanically alloying MgB2 with dopants including carbon. Bulk samples of milled C and MgB2…