Related papers: Thickness-Dependent Band Gap Modification in BaBiO…
The recent proposal of antidoping scheme breaks new ground in conceiving conversely functional materials and devices, yet the few available examples belong to the correlated electron systems. Here we demonstrate both theoretically and…
With the motive of unraveling the origin of native vacancy induced magnetization in ferroelectric perovskite oxide systems, here we explore the consequences of electronic structure modification in magnetic ordering of oxygen deficient…
Integration of organic semiconductors into flexible electronics requires that their optoelectronic properties remain stable under mechanical deformation. Among these, the optical band gap governs exciton generation and limits photovoltaic…
Thin films of the wide band gap semiconductor $\beta$-Ga$_2$O$_3$ have a high potential for applications in transparent electronics and high power devices. However, the role of interfaces remains to be explored. Here, we report on…
The electronic and magnetic properties in ABO3 perovskite oxides are extremely sensitive to lattice structure but also the dimensionality, such as the thickness in thin film form. Here, we report the thickness-dependent electro-magnetic…
The suitability of Ti as a band gap modifier for $\alpha$-Ga$_2$O$_3$ was investigated, taking advantage of the isostructural {\alpha}-phases and high band gap difference between Ti$_2$O$_3$ and Ga$_2$O$_3$. Films of Ti:Ga$_2$O$_3$, with a…
The influence of Ga incorporation into cubic In$_2$O$_3$ on the electronic and vibrational properties is discussed for (In$_{1-x}$,Ga$_x$)$_2$O$_3$ alloy films grown by molecular beam epitaxy. Using spectroscopic ellipsometry, a linear…
The nature of the metal insulator transition in thin films and superlattices of LaNiO3 with only few unit cells in thickness remains elusive despite tremendous effort. Quantum confinement and epitaxial strain have been evoked as the…
The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO3 appears as a very interesting system as it was theoretically proposed that its (001)…
Titanium dioxide (TiO2) is a wide band gap semiconducting material which is promising for photocatalysis. Here we present first-principles calculations to study the pressure dependence of structural and electronic properties of two TiO2…
Two-dimensional materials with layered structures, appropriate bandgap, and high carrier mobilities have gathered tremendous interests due to their potential applications in optoelectronic and photovoltaic devices. Here, we report the…
Layer-dependent electronic and structural properties of emerging graphitic carbon boron compound C3B are investigated using both density functional theory and the GW approximation. We discover that, in contrast to a moderate quasiparticle…
We report on optical properties of reduced BaTiO3-d at different doping levels including insulating and metallic samples. In all the samples, including metallic one, we observe structural phase transitions from the changes in the…
Understanding and controlling the electronic structure of thin layers of quantum materials is a crucial first step towards designing heterostructures where new phases and phenomena, including the metal-insulator transition (MIT), emerge.…
Epitaxial Ba0.5Sr0.5TiO3 thin films were prepared on Nb-doped SrTiO3 (100)substrates by the pulsed laser deposition technique, and were studied by measuring the Ti 2p - 3d resonant photoemission spectra in the valence-band region as a…
In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In many of these materials, such as the canonical example of…
We use our recently proposed microscopic modeling in the framework of linear response theory to investigate the complete phonon dispersion, the phonon density of states, certain phonon-induced electronic charge distributions and charge…
Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…
Optical band gap properties of high-quality few-layer topological insulator Bi2Se3 thin films grown with magnetron sputtering are investigated using broadband absorption spectroscopy. We provide direct optical evidence of a rigid blue-shift…
Nickel/Bismuth (Ni/Bi) bilayers have recently attracted attention due to the occurrence of time-reversal symmetry breaking in the superconducting state. Here, we report on the structural, magnetic and electric characterization of thin film…