Related papers: Defects responsible for abnormal n-type conductivi…
We investigate the thermodynamic and transport properties of silver-substituted BaFe2As2 (122) crystals, up to ~4.5%. Similar to other transition-metal substitutions in 122, Ag diminishes the antiferromagnetic (TN) and structural (TS)…
In this work, we calculate the defect properties of low-symmetry Pb interstitials in PbTe using first-principles density-functional theory calculations. We break the symmetry imposed on on-centered interstitial defects and show that the…
Superionic conductors have recently attracted renewed attention for their use as thermoelectric materials due to their extremely low lattice thermal conductivity. Of central interest is why the superionic conductors exhibit such low thermal…
We report the effects of electron doping on the ground state of a diamagnetic semiconductor FeGa$_{3}$ with a band gap of 0.5 eV. By means of electrical resistivity, magnetization and specific heat measurements we have found that gradual…
Using the density functional theory (DFT) in combination with Boltzmann transport theory, the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg1-xMgxSe ternary alloys was systematically investigated. The…
We have studied the magnetic and transport behavior of doped La0.65 A0.35 Mn0.95Fe0.05 O3 (A= Ca, Sr, Pb, Ba) compounds. All the compositions show ferromagnetic/metal to paramagnetic/insulator transition except the Pb doped sample which is…
Anomalous inter-layer atomic transport of deposited impurity atoms on Al(111) has been found by constant temperature molecular dynamics simulations. The low-energy deposition of Pt on Al(111) leads to oscillatory adsorbate-substrate…
We consider the role of potential scatterers in the nematic phase of Fe-based superconductors above the transition temperature to the (pi,0) magnetic state but below the orthorhombic structural transition. The anisotropic spin fluctuations…
Recent experimental investigations have demonstrated that doping a semiconductor is a route to increase the thermal boundary conductance at metal/semiconductor interfaces. In this work, the influence of the electrical properties on heat…
This work systematically investigates the potential of the hybrid anion semiconductor AgBiSCl2 for photovoltaic and thermoelectric applications, aiming to provide theoretical guidance for high-performance energy conversion devices.…
The local density of states of Ag(111) has been probed in detail on disordered terraces of varying width by dI/dV-mapping with a scanning tunneling microscope at low temperatures. Apparent shifts of the bottom of the surface-state band edge…
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…
High energy electron irradiation is used to controllably introduce atomic-scale point defects into single crystalline Ba(Fe_1-xCo_x)_2As_2, Ba(Fe_1-xNi_x)_2As_2, and BaFe_2(As_1-xP_x)_2. The appearance of the collective pinning contribution…
Magnetic interaction with the gapless surface states in topological insulator (TI) has been predicted to give rise to a few exotic quantum phenomena. However, the effective magnetic doping of TI is still challenging in experiment. Using…
The superconductivity in high temperature superconductors ordinarily arises when doped with hetero-valent ions that introduce charge carriers. However, in ferropnictides, "iso-valent" doping, which is generally believed not to introduce…
Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials at high temperatures due to the reduction in the Seebeck coefficient and the introduction of an additional term to the thermal…
Robust control over the carrier type is fundamental for the fabrication of nanocrystal-based optoelectronic devices, such as the p-n homojunction, but effective incorporation of impurities in semiconductor nanocrystals and its…
We report an ab initio study of the semiconducting Mg2X (with X = Si, Ge) compounds and in particular we analyze the formation energy of the different point defects with the aim to understand the intrinsic doping mechanisms. We find that…
We report observation of more than an order of magnitude jump in saturation magnetization in BiFeO$_3$/Ag nanocomposite at room temperature compared to what is observed in bare BiFeO$_3$ nanoparticles. Using transmission electron microscopy…
We investigate the doping of AA-stacked graphene bilayers. Applying a mean field theory at zero temperature we find that, at half-filling, the bilayer is an antiferromagnetic insulator. Upon doping, the homogeneous phase becomes unstable…