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Ab initio evolutionary structure searches coupled with quasiharmonic calculations predict that the insulating Na hP4 phase transitions to a novel P63/m phase between 200 GPa at 150 K, and 350 GPa at 1900 K. P63/m Na is a topological…
The recent report of superconductivity in the Cu-doped PbPO compound stimulates the extensive researches on its physical properties. Herein, the detailed atomic and electronic structures of this compound are investigated, which are the…
Electrides have valence electrons that occupy free space in the crystal structure, making them easier to extract. This feature can be used in catalysis for important reactions that usually requires a high-temperature and high-pressure…
Attempts to explain correlated-electron superconductivity have largely focused on the proximity of the superconducting state to antiferromagnetism. Yet, there exist many correlated-electron systems that exhibit insulator-superconducting…
Using mean field approach, we provide analytical and numerical solution of the symmetric Anderson lattice for arbitrary dimension at half filling. The symmetric Anderson lattice is equivalent to the Kondo lattice, which makes it possible to…
The paradigm of electrons interacting with a periodic lattice potential is central to solid-state physics. Semiconductor heterostructures and ultracold neutral atomic lattices capture many of the essential properties of 1D electronic…
Reported here are salient features of soliton-mediated electron transport in anharmonic crystal lattices.After recalling how an electron-soliton bound state (solectron) can be formed we comment on consequences like electron surfing on a…
Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for $r_s <$ 2.48 ($p > 130$ GPa). Newly-predicted phases include those with low…
As a class of electron-rich materials, electrides demonstrate promising applications in many fields. However, the required high pressure restricts the practical applications to some extent. This study reveals that the unique feature of…
Successful isolation of graphene from graphite opened a new era for material science and con- densed matter physics. Due to this remarkable achievement, there has been an immense interest to synthesize new two dimensional materials and to…
The electrolytes used in Lithium Ion Batteries (LIBs) such as LiBF4, LiPF6 etc. are Li-salts of some complex anions, BF4-, PF6- etc. The investigation shows that the vertical detachment energy (VDE) of these anions exceeds to that of…
We report nonresonant inelastic x-ray scattering from the semi-core 5d levels of several actinide compounds. Dipole-forbidden, high-multipole features form a rich bound-state spectrum dependent on valence electron configuration and…
At ambient pressure, sodium, chlorine, and their only known compound NaCl, have well-understood crystal structures and chemical bonding. Sodium is a nearly-free-electron metal with the bcc structure. Chlorine is a molecular crystal,…
NaAlSi is an sp electron superconductor crystallizing in a layered structure of the anti-PbFCl type with a relatively high transition temperature Tc of ~7 K. Recent electronic state calculations revealed the presence of topological nodal…
Based on first-principles calculation we predict two new thermodynamically stable layered-phases of silicon, named as silicites, which exhibit strong directionality in the electronic and structural properties. As compared to silicon…
Covellite (CuS) is the first known natural mineral superconductor. Despite its simple chemical formula, covellite exhibits a rich crystal structure at the origin of several remarkable properties. The ionic arrangement in CuS crystals leads…
Comparing with the conventional semiconductors, the choice of the two dimensional semiconductor (2DSC) materials is very limited. Based on proper electron counting, we propose a large family of 2DSCs, all adopting the same structure and…
The paper presents a metamaterial for ballistic electrons, which consists of a quantum barrier formed in a semiconductor with negative effective electron mass. This barrier is the analogue of a metamaterial for electromagnetic waves in…
The electronic properties of solids are determined by the crystal structure and interactions between electrons, giving rise to a variety of collective phenomena including superconductivity, strange metals and correlated insulators. The…
Interfacing stationary qubits with propagating photons is a fundamental problem in quantum technology. Cavity quantum electrodynamics (CQED) invokes a mediator degree of freedom in the form of a far-detuned cavity mode, the adaptation of…