相关论文: Novel metastable metallic and semiconducting germa…
The co-integration of spin, superconducting, and topological systems is emerging as an exciting pathway for scalable and high-fidelity quantum information technology. High-mobility planar germanium is a front-runner semiconductor for…
There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature…
Low-dimensional materials with broken inversion symmetry and strong spin-orbit coupling can give rise to fascinating quantum phases and phase transitions. Here we report coexistence of superconductivity and ferromagnetism below 2.5\,K in…
Pressure-induced superconductivity and structural phase transitions in phosphorous (P) are studied by resistivity measurements under pressures up to 170 GPa and fully $ab-initio$ crystal structure and superconductivity calculations up to…
Compressed S and Se are studied by x-ray diffraction with synchrotron radiation up to 160 GPa. The S-IV phase is shown to have a body-centered monoclinic structure and to be stable between 83 and 150 GPa on pressure increase, where it…
Rare-earth monopnictides are predicted to be nontrivial semimetal candidates and show pressure-induced superconductivity. Here, we grow LuBi single crystal and study the magnetization, transport behaviors and electronic band structures to…
Two single crystalline samples with the same nominal composition of Rb0.8Fe2Se2 prepared via slightly different precursor routes under the same thermal processing conditions were investigated at ambient and high pressures. One sample was…
The combination with superconductivity and topological nontrivial band structure provides a promising route towards novel quantum states such as topological superconductivity. Here, we report the first observation of superconductivity (4.1…
In the quest to make metallic hydrogen at low temperatures a rich number of new phases have been found and the highest pressure ones have somewhat flat phase lines, around room temperature. We have studied hydrogen to static pressures of…
Metastable alloys, such as $\beta$-phase titanium (Ti) alloys with a body-centered cubic (BCC) lattice, can exhibit exceptional mechanical properties through the interplay of multiple deformation mechanisms -- diffusionless phase…
A phase diagram for a 2D metal with variable carrier density has been derived. It consists of a normal phase, where the order parameter is absent; a so-called ``abnormal normal'' phase where this parameter is also absent but the mean number…
Searching for natural materials exhibiting larger electron-electron interactions constitutes a traditional approach to high temperature superconductivity research. Very recently we pointed out that the newly developed field of…
Using first-principles density functional calculations, we study the possible phases of CeMnNi$_{4}$ and show that the ground state is ferromagnetic. We observed the hexagonal phase to be lowest in energy whereas experimentally observed…
Strongly interacting electrons in solid-state systems often display tendency towards multiple broken symmetries in the ground state. The complex interplay between different order parameters can give rise to a rich phase diagram. Here, we…
Two novel three-dimensional (3D) crystal structures of carbon (C) and germanium carbide (GeC2) were predicted using first-principles density-functional theory (DFT) calculations. These newly discovered 3D carbon allotrope and GeC2 are in…
We report new ground-state structures and phase transitions in $\Sigma$5[001] tilt grain boundaries (GBs) in body-centered cubic (BCC) refractory metals Nb, Ta, Mo, and W. $\Sigma$5 tilt GBs have been extensively investigated over the past…
Two possible phases of superhard material BC3 originating from the cubic diamond structure are investigated by ab initio pseudopotential density functional method using generalized gradient approximation (GGA). We calculate their elastic…
The vibrational and structural properties of a hydrogen-rich Group IVa hydride, Ge(CH$_3$)$_4$, are studied by combining Raman spectroscopy and synchrotron X-ray diffraction measurements at room temperature and at pressures up to 30.2 GPa.…
Owing to extremely large band gap of 5.5 eV and high thermal conductivity, diamond is recognized as the most important semiconductor. The superconductivity of polycrystalline diamond has always been reported, but there are also many…
We have recently identified metal-sandwich (MS) crystal structures and shown with ab initio calculations that the MS lithium monoboride phases are favored over the known stoichiometric ones under hydrostatic pressure [Phys. Rev. B 73,…