相关论文: Extrinsic point defects in aluminum antimonide
Ion implantation is a powerful approach for tuning the electrical properties of materials through controlled doping and defect engineering, with applications in thermoelectrics and microelectronics. Scandium nitride (ScN) is particularly…
Among the host materials luminescence the luminescence of the self-trapped exciton (STE) is reviewed. This luminescence, which band is situated at 2.6 to 2.7 eV, could be observed mainly under ionising radiation with energetic yield about…
The performance of organic semiconductor devices is linked to highly-ordered nanostructures of self-assembled molecules and polymers. We employ many-body perturbation theory and study the excited states in bulk compolymers. We discover that…
Metal halide perovskite solar cells have achieved dramatic improvements in their power conversion efficiency in the recent past. Since compositional engineering plays an important role in optimizing material properties, we investigate the…
One of the possible approaches to decrease the demand for critical elements such as rare earths is to develop new sustainable magnets. Iron-based materials are suitable for gap magnets applications since iron is the most abundant…
A new doping mechanism is described, whereby a doping impurity does not simply transfer charge to the bands of a host semiconductor or semimetal, but rearranges the core energy levels deep in the valence band of the host. This, in turn,…
Point defects in the binary group-IV monochalcogenide monolayers of SnS, SnSe, GeS, GeSe are investigated using density-functional-theory calculations. Several stable configurations are found for oxygen defects, however we give evidence…
The influence of various kinds of impurities on the isotope shift exponent \alpha of high temperature superconductors has been studied. In these materials the dopant impurities, like Sr in La_{2-x}Sr_xCuO_4, play different role and usually…
We characterized the formation of vacancies at a surface slab model and contrasted the results with the bulk of lead-halide perovskites using cubic and tetragonal CsPbI$_3$ as representative structures. The defect-free CsI-terminated (100)…
Behavior consistent with Coulomb-mediated high-T$_C$ superconductivity is shown to be present in the intercalated group-4-metal nitride halides A$_x$(S)$_y$MNX, where the MNX host (M = Ti, Zr, Hf; X = Cl, Br) is partially intercalated with…
We investigate the effects of charged impurity distributions and carrier-carrier interactions on electronic transport in graphene on SiO$_2$ by employing a self-consistent coupled simulation of carrier transport and electrodynamics. We show…
Differential abundances of C, O, Mg, Al, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Zn, Y, and Zr were determined from high signal-to-noise VLT/UVES spectra for 25 turnoff stars with -2.4 < [Fe/H] < -1.3. Effective temperatures were obtained from…
We present a first principles study based on density functional theory of thermodynamic and electronic properties of the most important intrinsic defects in the semiconductor alloy Cd(1-x)Zn(x)Te with x<0.13. The alloy is represented by a…
We conduct comprehensive investigations of both thermal and electrical transport properties of SnSe and SnS using first-principles calculations combined with the Boltzmann transport theory. Due to the distinct layered lattice structure,…
Polycrystalline samples of A$_x$V$_2$Al$_{20}$ (A = Ce, Th, U, Np, Pu; 0.7 =< x =< 1.0) actinide intermetallics were synthesized using the arc-melting method. Crystal structure studies were performed by means of powder x-ray diffraction and…
Two-dimensional (2D) perovskites show higher stability in comparison to their three-dimensional (3D) counterparts. Therefore, 2D perovskites have invoked remarkable attention in basic understanding of their physical properties and…
We employed first-principles calculations to investigate the thermoelectric transport properties of the compound As$_2$Se$_3$. Early experiments and calculations have indicated that these properties are controlled by a kind of native defect…
Hexagonal diamond (HD), an exotic carbon allotrope recently synthesized in bulk form, exhibits superior mechanical properties compared to cubic diamond (CD) and holds promise for advanced industrial and quantum applications. Using…
Using the EPIC and RGS data from a deep (~200 ks) XMM-Newton observation, we investigate the temperature structure (kT and sigma_T ) and the abundances of 9 elements (O, Ne, Mg, Si, S, Ar, Ca, Fe and Ni) of the intra-cluster medium (ICM) in…
Combining density-functional theory calculations and microscopic tight-binding models, we investigate theoretically the electronic and magnetic properties of individual substitutional transition-metal impurities (Mn and Fe) positioned in…