相关论文: Metastable rocksalt ZnO is $p$-type dopable

Impurity doping like Zn atoms in cuprates were systematically studied to provide important information on the pseudogap phase because this process substantially reduces $T_c$ without effect $T^*$. Despite many important results and…

We present a first-principles computational study of non-polar ZnO (10$\bar{1}$0) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to…

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…

X-ray absorption near-edge spectroscopy (XANES), photoluminescence, cathodoluminescence and Raman spectroscopy have been used to investigate the chemical states of nitrogen dopants in ZnO nanowires. It is found that nitrogen exists in…

In this paper, structural and electronic properties and stability of (10, 0) born nitride nanotube (BNNT) are considered within density functional theory by doping group IV elements of the periodic table. The HOMO-LUMO gap has been strongly…

Low-temperature heat capacities (Cp) of nanostructured rock salt (rs-ZnO) and wurtzite (w-ZnO) polymorphs of zinc oxide were measured in the 2-315 K temperature range. No significant influence of nanostructuring on Cp of w-ZnO has been…

The structural, electronic, and optical properties of metal (Si, Ge, Sn, and Pb) mono- and co-doped anatase TiO$_{2}$ nanotubes are investigated, in order to elucidate their potential for photocatalytic applications. It is found that Si…

The effects of doping on a one-dimensional wire in a charge density wave state are studied using the density-matrix renormalization group method. We show that for a finite number of extra electrons the ground state becomes conducting but…

Understanding the physics of doping a charge transfer insulator is the most important problem in high-temperature superconductivity. In this work, we show that an in-gap bound state emerges from the localized hole of the doped charge…

Mg is currently the only p-type dopant in technological use in GaN. Its incorporation into the GaN lattice is difficult. It requires a thermal treatment that only partially activates the Mg. To achieve moderate p-type doping requires high…

Thin p-type Sb-doped ZnO films were grown by filtered vacuum arc deposition (FVAD), on untreated glass samples. The arc cathode was prepared by dissolving Sb into molten Zn. The deposition was performed with 200 A arc current, running for…

Doping lithium-ion battery electrode materials LiMO$_2$ (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides…

The doping of semiconductor materials is a fundamental part of modern technology, but the classical approaches have in many cases reached their limits both in regard to achievable charge carrier density, as well as mobility. Modulation…

Ab initio calculations predict that Be is a shallow acceptor in GaN. Its thermal ionization energy is 0.06 eV in wurtzite GaN; the level is valence resonant in the zincblende phase. Be incorporation is severely limited by the formation of…

Recent experiments demonstrated robust ferroelectricity in Mg-doped ZnO (ZMO) of the wurtzite structure, hinting at a promising strategy to substantially expand the list of ferroelectrics by doping conventional piezoelectrics. We…

Tetrahedrite (copper antimony sulfosalt) is promising p-type themoeletric material due to very low intrinsic thermal conductivity and moderately-high power factor, with one of the limitations being lack of n-type variant to create…

We perform hybrid-density functional calculations to investigate the charged defect formation energy of native point defects in $Mg_2 Si$, $Mg_2 Sn$, and their solid solutions. The band gap correction by hybrid-density functional is found…

Lanthanum manganite, LaMnO (LMO) is the parent compound for a class of hole doped(e.g. La1-xCaxMnO3, La1-xSrxMnO3) and electron doped (e.g. . La1-xCexMnO3, La1-xSnxMnO3) perovskite complex oxide materials. Strong correlation between the…

By using solid state reaction method we have fabricated the hole doped $La_{1-x}Sr_xFeAsO$ superconductors with Sr content up to 0.13. It is found that the sharp anomaly at about 150 K and the low temperature upturn of resistivity are…

Doping problems in GaN and in AlGaN alloys are addressed on the basis of state-of-the-art first-principles calculations. For n-type doping we find that nitrogen vacancies are too high in energy to be incorporated during growth, but silicon…