Understanding do** of quantum materials
Do** mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the
enabling step in the electronic and optoelectronic revolutions. The recent emergence of a …
enabling step in the electronic and optoelectronic revolutions. The recent emergence of a …
Dilute do**, defects, and ferromagnetism in metal oxide systems
SB Ogale - Advanced materials, 2010 - Wiley Online Library
Over the past decade intensive research efforts have been carried out by researchers
around the globe on exploring the effects of dilute do** of magnetic impurities on the …
around the globe on exploring the effects of dilute do** of magnetic impurities on the …
Defect induced, layer-modulated magnetism in ultrathin metallic PtSe2
Defects are ubiquitous in solids and often introduce new properties that are absent in
pristine materials. One of the opportunities offered by these crystal imperfections is an …
pristine materials. One of the opportunities offered by these crystal imperfections is an …
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
Despite the great success that theoretical approaches based on density functional theory
have in describing properties of solid compounds, accurate predictions of the enthalpies of …
have in describing properties of solid compounds, accurate predictions of the enthalpies of …
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
Contemporary theories of defects and impurities in semiconductors rely to a large extent on
supercell calculations within density-functional theory using the approximate local-density …
supercell calculations within density-functional theory using the approximate local-density …
Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides
Existing defect models for In 2 O 3 and ZnO are inconclusive about the origin of conductivity,
nonstoichiometry, and coloration. We apply systematic corrections to first-principles …
nonstoichiometry, and coloration. We apply systematic corrections to first-principles …
Origins of the -type nature and cation deficiency in and related materials
While most of crystalline wide gap oxides are both stoichiometric and insulating, a handful of
them including ZnO and In 2 O 3 are naturally anion-deficient and electron conductors. Even …
them including ZnO and In 2 O 3 are naturally anion-deficient and electron conductors. Even …
Ferromagnetism as a universal feature of inorganic nanoparticles
Room-temperature ferromagnetism is exhibited by nanoparticles of a variety of inorganic
materials although they are intrinsically non-magnetic. Typical of such nanomaterials are the …
materials although they are intrinsically non-magnetic. Typical of such nanomaterials are the …
Ab initio calculations on the defect structure of -GaO
T Zacherle, PC Schmidt, M Martin - Physical Review B—Condensed Matter and …, 2013 - APS
The intrinsic point defects of β-Ga 2 O 3 are investigated using density functional theory. We
have chosen two different exchange-correlation potentials: the generalized gradient …
have chosen two different exchange-correlation potentials: the generalized gradient …
Structure–Property Relation of SrTiO3/LaAlO3 Interfaces
A large variety of transport properties have been observed at the interface between the
insulating oxides SrTiO3 and LaAlO3 such as insulation, 2D interface metallicity, 3D bulk …
insulating oxides SrTiO3 and LaAlO3 such as insulation, 2D interface metallicity, 3D bulk …