相关论文: Self-compensation in phosphorus-doped CdTe
The interplay between the band Jahn-Teller distortion and the superconductivity is studied for the system whose Fermi level lies in two-fold degenerate band. Assuming that the lattice distortion is coupled to the orbital electron density…
In the sake of connecting the charge-density-wave (CDW) of TaSe$_2$ and single-\emph{\textbf{q}} CDW-type distortion of TaTe$_2$, we present an overall electronic phase diagram of 1\emph{T}-TaSe$_{2-x}$Te$_x$ ($0 \leq x \leq 2$). In the…
The pseudogap phenomena have been a long-standing mystery of the cuprate high-temperature superconductors. The pseudogap in the electron-doped cuprates has been attributed to band folding due to antiferromagnetic (AFM) long-range order or…
Electron-doped high-Tc FeSe reportedly has a strong electron correlation that is enhanced with doping. It has been noticed that significant electric fields exist inevitably between FeSe and external donors along with electron transfer.…
The flux phase predicted by the $t-J$ model in the large-N limit exhibits features that make it a candidate for describing the pseudogap regime of cuprates. However certain properties, as for instance the prediction of well defined…
Using the coherent-potential approximation, we have studied the effects of excess Fe, Se-deficiency, and substitutions of S, Te on Se sub-lattice and Co, Ni and Cu on Fe sub-lattice in FeSe. Our results show that (i) a small amount of…
The self-interaction corrected density-functional calculations are performed for Re impurities and their pairs in silicon. Rhenium ions form in the host crystal not very tight pairs, with impurities separated by one Si atom or by a distance…
We consider normal state properties, the pairing instability temperature, and the structure of the pairing gap in electron-doped cuprates. We assume that the pairing is mediated by collective spin excitations, with antiferromagnetism…
Dome-shape superconductivity phase diagram can commonly be observed in cuprate and iron-based systems via tuning parameters such as charge carrier doping, pressure, bond angle, and etc. We report doping electrons from transition-metal…
Since the early days of the discovery of hole doped high-Tc cuprates, the variation of the oxygen isotope exponent (IE) with the number of doped holes, p, in the CuO2 planes has been a source of considerable debate. There is a growing…
We propose a generalized model of electronic structure modification in HTSC cuprates and ferropnictides under doping. In this model the role of doping consists in only a local change in the electronic structures of the parent phases of…
Superconductivity in copper oxides emerges on doping holes or electrons into their Mott insulating parent compounds. The spin excitations are thought to be the mediating glue for the pairing in superconductivity. Here the momentum and…
Spin-state transitions, observed in many transition metal compounds containing Co$^{3+}$ and Fe$^{2+}$, may occur with the change of temperature, pressure, but also with doping, in which case the competition of single-site effects and…
Electron charging play key roles in physiochemical processes, whose intrinsic stabilization in single molecules is desirable for tailoring molecular functionality and developing molecular devices, but remains elusive on surfaces. Here, we…
While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn$_{Ga}$), we investigate here whether alternate lattice sites are favored and what the magnetic…
We investigate the pairing symmetry in heavily overdoped Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$ based on the spin-fluctuation mechanism. The exotic octet nodes of the superconducting gap and the unusual evolution of the gap with doping observed…
The recent discovery of the persistence of long-range magnetic order when van der Waals layered magnets are thinned towards the monolayer limit has provided a tunable platform for the engineering of novel magnetic structures and devices.…
We calculate the density of states (DOS) and the Mulliken population of the diamond and the co-doped diamonds with different concentrations of lithium (Li) and phosphorus (P) by the method of the density functional theory, and analyze the…
Magnon self energy due to spin-charge coupling is calculated for the correlated ferromagnetic Kondo lattice model using a diagrammatic expansion scheme. Systematically incorporating correlation effects in the form of self-energy and vertex…
A density functional theory study of atomic defects and dopants in ternary Z-phase transition-metal nitrides CrMN with M=V, Nb, or Ta is presented. Various defect formation energies of native point defects and of substitutional atoms of…