相关论文: Stable ordered phases of cuprous iodide with compl…
The atomic and electronic structure of the p-type transparent amorphous semiconductor CuI is calculated by ab-initio molecular dynamics. It is found to consist of a random tetrahedrally bonded network. The hole effective mass is found to be…
Zincblende copper iodide has attracted significant interest as a potential material for transparent electronics, thanks to its exceptional light transmission capabilities in the visible range and remarkable hole conductivity. However,…
Native point defects, defect complexes, and oxygen impurities in BaCuChF were studied using density functional theory calculations, self-consistent thermodynamic simulations, and various experimental techniques. Unintentional p-type…
We report properties of the reported transparent conductor CuI, including the effect of heavy $p$-type doping. The results, based on first principles calculations, include analysis of the electronic structure and calculations of optical and…
Zincblende copper iodide has been attracting growing interest as p-type semiconductor for applications in transparent electronics and transparent thermoelectrics. A key step towards technological applications is the possibility to enhance…
Towards a resolution of the longstanding controversy regarding the existence of Cu-Li intermetallic compounds, we extensively investigate the phase stability of Cu-Li intermetallics with various possible stoichiometries at zero temperature…
A d-wave superconductor, its phase coherence progressively destroyed by unbinding of vortex-antivortex pairs, suffers an instability related to chiral symmetry breaking in two-flavor QED$_3$. The chiral manifold exhibits large degeneracy…
We established that the morphology of the phase diagrams is mostly governed by disorder in the various cuprate families. In the minimally disordered YBCO substitutions of Zn or Li spinless impurities on the planar Cu sites control the…
The model of strongly correlated electrons with the correlated hopping term and an additional interaction between holes $V$ is solved exactly in one dimension at a special point where the number of hole pairs is conserved. As a function of…
Positron annihilation spectroscopy is used to study point defects in Zn/1-x/Mn/x/GeAs/2/ crystals with low Mn content 0 < x < 0.042 with disordered zincblende and chalcopyrite structure. The role of negatively charged vacancies and…
We present a valence transition model for electron- and hole-doped cuprates, within which there occurs a discrete jump in ionicity Cu$^{2+} \to$ Cu$^{1+}$ upon doping, at or near optimal doping in the electron-doped compounds and at the…
The phase diagram of order parameters for pairing and phase coherence in hole-doped cuprates is discussed. By examining carefully some recent inelastic neutron scattering data obtained on hole-doped cuprates and heavy fermion compound…
There is growing evidence that the unconventional spatial inhomogeneities in the doped high-Tc superconductors are accompanied by the pairing of electrons, subsequent quantum phase transitions (QPTs), and condensation in coherent states. We…
We investigate the density instabilities present in the infinite-U Hubbard-Holstein model both at zero and finite momenta as well as the occurrence of Cooper instabilities with a specific emphasis on the role of long-range Coulomb forces.…
We measured the polarized optical conductivity of URu$_2$Si$_2$ from room temperature down to 5 K, covering the Kondo state, the coherent Kondo liquid regime, and the hidden-order phase. The normal state is characterized by an anisotropic…
Models of strongly correlated electrons that tend to phase separate are studied including a long-range 1/r repulsive interaction. It is observed that charge-density-wave states become stable as the strength of the 1/r term, ${\rm…
The Cooper pairing and phase coherence are two fundamental aspects of superconductivity. Due to breaking time reversal symmetry, magnetic impurities are detrimental to superconductivity, yet microscopically how they affect the pairing…
The currently established electronic phase diagram of cuprates is based on a study of single- and double-layered compounds. These CuO$_2$ planes, however, are directly contacted with dopant layers, thus inevitably disordered with an…
We study the Cu-O valence instability (VI) and the related phase separation (PS) driven by Cu-O nearest-neighbor repulsion $U_{pd}$, using an effective extended one-band Hubbard model ($H_{eff}$) obtained from the extended three-bandHubbard…
Copper(I) iodide, CuI, is the leading $p$-type non-toxic and earth-abundant semiconducting material for transparent electronics and thermoelectric generators. Defects play a crucial role in determining the carrier concentration, scattering…