XPDC at diamond K-edge reveals strong polariton hybridization and extracts refractive index via polariton spectral mapping and modeling.
and Ernzerhof, Matthias , title =
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First-principles calculations identify a novel band alignment at low Ge concentrations preventing 2DEG but allowing 2DHG at s-Si/SiGe interfaces, with confined states and anisotropic masses.
Nanostructure geometry on suspended van der Waals membranes provides deterministic control of multiaxial strain and bandgap profiles in 2D materials like Ga2Se2, with a two-component analytical model predicting shifts to within 12% error and extendable to other materials.
BaCd2P2 exhibits photoconductive properties and defect tolerance comparable to GaAs despite low-purity synthesis, supported by lifetime measurements and first-principles defect calculations.
Monolayer NaCrTe2 shows scattering inversion from POP to ADP due to enhanced dielectric screening and lattice softening from dimensional confinement.
Monolayer CrC2N4 exhibits a direct band gap at K/K' valleys with 51.9 meV valence-band spin splitting from SOC and strain-tunable gap and optical response from 1.987 to 1.421 eV.
Ab initio DFT calculations find zinc vacancies and interstitials dominate defects in Zn3P2, producing p-type behavior via shallow acceptors, with Frenkel pair formation partially compensating conductivity and thermodynamically limiting n-type doping.
CrSi2N4 monolayer is stable with 0.58-2.16 eV indirect bandgap, high absorption, 3.5 mW/mK² thermoelectric power factor, and strain-reduced hydrogen adsorption energy to 0.46 eV for better HER.
Nitrogen-vacancy defect complexes in β-Ga₂O₃ form deep trapping centers that limit carrier transport and promote semi-insulating properties.
NO2 adsorption on alpha-Fe2O3 transfers 0.72 electrons and quenches surface small polarons, suppressing polaronic conductivity and explaining sensor resistance increase.
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Vacancy-Enhanced $N-N$ Bonding and Deep Level Complex Defect Formation in $\beta-Ga_2O_3$
Nitrogen-vacancy defect complexes in β-Ga₂O₃ form deep trapping centers that limit carrier transport and promote semi-insulating properties.