Related papers: First-principles study of defects and doping limit…
We perform first-principles calculations of the quasiparticle defect states, charge transition levels, and formation energies of oxygen vacancies in rutile titanium dioxide. The calculations are done within the recently developed combined…
Hydrogen exhibits qualitatively different charge states depending on the host material, as nicely explained by the state-of-the-art impurity-state calculation. Motivated by a recent experiment [Nature 546, 124 (2017)], we show that the…
Copper and Nickel impurities have been doped into the iron pnictide superconductor Ba0.6K0.4Fe2As2. Resistivity measurements reveal that Cu and Ni impurities suppress superconducting transition temperature T_c with rates of \Delta T_c/Cu-1%…
We study the quantum phase transitions in the nickel pnctides, CeNi$_{2-\delta}$(As$_{1-x}$P$_{x}$)$_{2}$ ($\delta$ $\approx$ 0.07-0.22). This series displays the distinct heavy fermion behavior in the rarely studied parameter regime of…
Defects play important roles in semiconductors (SCs). Unlike those in bulk SCs, defects in two-dimensional (2D) SCs are exposed to the surrounding environment, which can potentially modify their properties/functions. Air is a common…
Recent experimental observations indicate that bulk $Sc_2O_3$ (~200 nm thick), an insulator at room temperature and pressure, must act as a good electronic conductor during thermionic cathode operation, leading to the observed high emitted…
The characteristic features of Ca$_{10}$(Pt$_3$As$_8$)[(Fe$_{1-x}$Pt$_x$)$_2$As$_2$]$_5$ ("10-3-8") superconductor are relatively high anisotropy and a clear separation of superconductivity and structural/magnetic transitions, which allows…
Kagome metals AV3Sb5 (A = K, Rb, and Cs) exhibit a unique superconducting ground state coexisting with charge-density wave (CDW), whereas how these characteristics are affected by carrier doping remains unexplored because of the lack of an…
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal (TM=Mn, Co) impurities in p-type ZnO. Based on the total energy considerations, we find a…
A computation of the cuprate phase diagram is presented. Adiabatic deformability back to the density function band structure is assumed. Symmetry constraints lead to a fermi liquid theory with 5 interaction parameters. Two of these are…
It has long been believed that doped quantum spin liquids (QSLs) can give rise to fascinating quantum phases, including the possibility of high-temperature superconductivity (SC) as proposed by P. W. Anderson's resonating valence bond (RVB)…
We start with a mean field Hamiltonian in momentum space for NCCO to investigate the magnetic quantum oscillations (MQO) exhibited by this system in the normal state. We first obtain an expression for the entropy of the system which is…
Cuprate high-T_c superconductors on the Mott-insulating side of "optimal doping" (with respect to the highest T_c's) exhibit enigmatic behavior in the non-superconducting state. Near optimal doping the transport and spectroscopic properties…
On the basis of coupled Ginzburg--Landau equations we study nonhomogeneous states in systems with two order parameters~(OP). Superconductors with superconducting OP~$\Delta$, and charge- or spin-density wave (CDW or SDW) with amplitude~$W$…
Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V4+ species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic…
We present a comparative, theoretical study of the doping dependence of the critical temperature $T_C$ of the ferromagnetic insulator-metal transition in Gd-doped and O-deficient EuO, respectively. The strong $T_C$ enhancement in…
The physical properties of low energy superconducting quasiparticles in high- $T_c$ superconductors are examined using magnetic penetration depth and specific heat experimental data. We find that the low energy density of states of…
We present a detailed room temperature x-ray powder diffraction study on La2-xSrxNiO4+d with 0<=x<=0.12 and 0<=d<=0.13. For x=0.02, 0.04 and 0.06 the oxygen content phase diagrams of the Sr doped samples show a similar sequence of pure…
The magnetic fluctuations associated with a quantum critical point (QCP) are widely believed to cause the non-Fermi liquid behaviors and unconventional superconductivities, for example, in heavy fermion systems and high temperature cuprate…
The possible scenario of what happens in the plane during the doping of cuprates with oxygen holes is subject of this brief communication. The simultaneously inserted oxygen holes and electrons create two components plasma. The oxygen holes…