相关论文: A novel superhard tungsten nitride predicted by ma…
We have developed an efficient crystal structure prediction (CSP) method for desired chemical compositions, specifically suited for compounds featuring recurring molecules or rigid bodies. We applied this method to two metal chalcogenides:…
Evolutionary algorithms and the particle swarm optimization method have been used to predict stable and metastable high hydrides of iron between 150-300 GPa that have not been discussed in previous studies. Cmca FeH5, Pmma FeH6 and P2/c…
Here, we report the discovery of superconductivity in a new transition metal-chalcogenide compound, i.e. Nb2Pd0.81S5, with a transition temperature Tc > 6.6 K. Despite its relatively low Tc, it displays remarkably high and anisotropic…
Over the past six years, superconductivity at high temperatures has been reported in a variety of hydrogen-rich compounds under high pressure. That high-temperature superconductivity should exist in these materials is expected according to…
van der Waals (vdW) layered transition-metal chalcogenides are attracting significant attention owing to their fascinating physical properties. This group of materials consists of abundant members with various elements, having a variety of…
The appropriateness of including Hg among the transition metals has been debated for a long time. Although the synthesis of HgF$_{4}$ molecules in gas phase was reported before, the molecules show strong instabilities and dissociate.…
Modern compound prediction methods can efficiently screen large numbers of crystal structure phases and direct the experimental search for new materials. One of the most challenging problems in alloy theory is the identification of stable…
Hydrogen-rich compounds are important for understanding the dissociation of dense molecular hydrogen, as well as searching for room temperature Bardeen-Cooper-Schrieffer (BCS) superconductors. A recent high pressure experiment reported the…
Uranium nitrides have been the subject of intense research owing to their potential applications as advanced nuclear fuels. However, the phase diagram of the U-N system at low temperature and high pressure still remains unclear. In this…
Recent research on compressed binary hydrides have unveiled the potential for achieving superconductivity at near-room-temperature. Nevertheless, the available decision-making procedures standing behind the selection of constituent elements…
Ternary nitride materials hold promise for many optical, electronic, and refractory applications yet their preparation via solid-state synthesis remains challenging. Often, high pressures or reactive gasses are used to manipulate the…
Lanthanum hydrides, containing hydrogen framework structures under compression, display a superconducting state with a high observed critical temperature. However, this phenomenon has so far only been observed at very high pressures. Here,…
A novel medium Mn steel of composition Fe-12Mn-4.8Al-2Si-0.32C-0.3V was manufactured with 1.09 GPa yield strength, 1.26 GPa tensile strength and 54% elongation. The thermomechanical process route was designed to be industrially translatable…
Tin sulfide (SnS) was successfully synthesized in single crystals by a melt and slow-cooling method. The obtained sample was characterized by an X-ray diffraction, an energy dispersive spectrometry, and an X-ray photoelectron spectroscopy.…
The search for ultra hard materials is inevitable in high pressure device applications. Nitrides of group-14 elements have been foreseen as potential candidates in replacing existing hard materials. In a recent experiment, pyrite structures…
In the last five years a large number of new high-temperature superconductors have been predicted and experimentally discovered among hydrogen-rich crystals, at pressures which are way too high to meet any practical application. In this…
As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen…
Twistronics, which exploits moire modulation of lattice and electronic structures in twisted bilayers, has emerged as a powerful approach to engineer novel quantum states. Recent efforts have expanded beyond two dimensional van der Waals…
The discovery of near-room-temperature superconductivity in compressed hydrides has sparked intensive research efforts to identify superconducting hydrides stable at low or even ambient pressures. Herein, we demonstrate a new mechanism for…
Recently YH6, compound from a group of theoretically predicted stable compressed MH6 hydrides (M/ Ca, Mg, Y, Sc) with bcc Im-3m crystal structure, was successfully experimentally realized. Superconductivity of pressurized YH6 was confirmed…