相关论文: First-principles Study of Metallic-atom Diffusion …

The performance of strained silicon as the channel material for transistors has plateaued. Motivated by increasing charge-carrier mobility within the device channel to improve transistor performance, germanium (Ge) is considered as an…

Progress in superconducting device and detector technologies over the past decade have realized practical applications in quantum computers, detectors for far-infrared telescopes, and optical communications. Superconducting thin film…

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…

We present a temperature-dependent reflectivity study of single crystals of the ternary intermetallic compounds GdCu$_2$Ge$_2$ and GdCuAl$_3$ over a broad spectral range (100-18000 cm$^{-1}$, equivalent to 12 meV-2.23 eV) down to 13 K.…

Electrides as a unique class of emerging materials exhibit fascinating properties and hold important significance for understanding the matter under extreme conditions, which is characterized by valence electrons localized into the…

[ABRIDGED] We report the results of a high-resolution spectroscopic survey of all the stars more luminous than Mv = 6.5 mag within 14.5 pc from the Sun. We derive stellar parameters and perform a preliminary abundance and kinematic analysis…

Prediction and characterization of crystal structures of alloys are a key problem in materials research. Using high-throughput ab initio calculations we explore the low-temperature phase diagrams for the following systems: {Bi-In, Bi-Mg,…

Metal-insulator transition features as a transformation, from a highly charge conductive state to another state where charge conductivity is greatly suppressed when decreasing the temperature. Here we demonstrate two consecutive transitions…

This paper discusses a simple calculation for the diffusion thermopower of a transition metal ferromagnet. The main result of this calculation is that unlike in the case of a free-electron model, the diffusion thermopower S and its…

The energy landscape and diffusion barriers of protonic defects in Gd-doped BaCeO3, a compound candidate as electrolyte for protonic ceramic fuel cells, have been investigated by density functional theory calculations, starting from a…

In a recent experiment, Siegrist et al. [Nature Materials 10, 202 (2011)] investigated the metal-insulator transition (MIT) of GeSb_2Te_4 on increasing annealing temperature. The authors conclude that this material exhibits a discontinuous…

A sequence of structural transitions occurring in the quasi-one-dimensional (1D) 3d1 system BaVS3 at low temperature was investigated by high resolution synchrotron X-ray diffraction. The orthorhombic Cmc21 structure of the…

The transition--metal oxide CaCu$_3$Ru$_4$O$_{12}$ with perovskite--type structure shows characteristic properties of an intermediate--valence system. The temperature--dependent susceptibility exhibits a broad maximum around $150 - 160$ K.…

Transition metal diborides crystallise in the $\alpha$, $\gamma$, or $\omega$ type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0001] axis. Here we view the prototypes as…

The temperature-dependent infrared properties of $\theta$-(BEDT-TTF)$_2$RbZn(SCN)$_4$ were investigated. In the temperatures above the metal-insulator (M-I) transition, the optical conductivity remains finite in the low energy region, but…

Metal-to-insulator transitions (MITs), particularly near room temperature, have been extensively studied in nonmagnetic and conventional ferromagnetic and antiferromagnetic systems, yet the co-emergence of MIT and altermagnetism (AM)…

Layered transition-metal compounds have received great attention owing to their novel physical properties. Here, we present the structural, electronic, thermal, and magnetic properties of BaMn2Sb2 and Ba2Mn3Sb2O2 single crystals, both with…

Thermoelectric materials can generate electricity directly utilizing heat and thus, they are considered to be eco-friendly energy resources. The thermoelectric efficiency at low temperatures is impractically small, except only a few bulk…

Whether porosity can effectively improve thermoelectric performance is still an open question. Herein we report that thermoelectric performance can be significantly enhanced by creating porosity in n-type Mg3.225Mn0.025Sb1.5Bi0.49Te0.01,…

With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…