Related papers: Half-filled intermediate bands Si material formed …
Numerous experimental data on the rapid solidification of binary systems exhibit the formation of metastable solid phases with the initial (nominal) chemical composition. This fact is explained by complete solute trapping leading to…
In the pursuit of advancing solar energy technologies, this study presents 20 direct and quasi-direct band gap silicon crystalline semiconductors that satisfy the Shockley-Queisser limit, a benchmark for solar cell efficiency. Employing two…
Based on first-principles study, we report the finding of a new topological semimetal LiBaBi in half-Heusler phase. The remarkable feature of this nonmagnetic, inversion-symmetry-breaking material is that it consists of only simple $s$- and…
Using time-dependent density-functional theory, we investigate the electronic stopping power of self-irradiated silicon through non-adiabatic dynamics simulations. For specific velocities above 0.6 atom units, electronic stopping shows a…
Microstructured Silicon, which is obtained by irradiating the surface of a Silicon wafer with femtosecond laser pulses under certain circumstances, has unusual optical properties such as the strong absorption of light with wavelength from…
By means of systematically first-principles calculations and model analysis, a complete phase diagram of the body-centered silicon(BC8-Si) via lattice constant a and internal atomic coordinate x is explored, which demonstrates that BC8-Si…
We report first-principles results on the electronic structure of various silicene structures. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their Fermi velocity by…
Multi-subband plasmon (MSP) modes in heavily doped InAs/GaSb broken-gap quantum wells grown via molecular beam epitaxy (MBE) are investigated. An $8$-band $\vec{k} \cdot \vec{p}$ semiclassical model accurately predicts ellipsometric…
On the quest for efficient thermoelectrics, semiconducting behavior is a targeted property. Yet, this is often difficult to achieve due to the complex interplay between electronic structure, temperature, and disorder. We find this to be the…
A partial semigroup is a set with restricted binary operation. In this work we will extend a result due to V. Bergelson and N. Hindman concerning the rich structure presented in the product space of semigroups to partial semigroup. An…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…
Electronic structures of Ge$_{1-x}$Sn$_{x}$ alloys (0 $\leq$ $x$ $\leq$ 1) are theoretically studied by nonlocal empirical pseudopotential method. For relaxed Ge$_{1-x}$Sn$_{x}$, a topological semimetal is found for $\textit x$ $>$ 41$\%$…
Pressure-induced superconductivity and structural phase transitions in phosphorous (P) are studied by resistivity measurements under pressures up to 170 GPa and fully $ab-initio$ crystal structure and superconductivity calculations up to…
We investigate the infinite-dimensional two-orbital Hubbard model at arbitrary band fillings. By means of the self-energy functional approach, we discuss the stability of the metallic state in the systems with same and different bandwidths.…
Cu(In,Ga)Se2 based solar cells exceed power conversion efficiencies of 23 %. Yet, the fill factor of these solar cells, with best values around 80 %, is relatively low (Si reaches 84.9%) mostly due to diode factors greater than one.…
First-principles FLAPW-GGA band structure calculations were employed to examine the structural, electronic properties and the chemical bonding picture for four ZrCuSiAs-like Th-based quaternary pnictide oxides ThCuPO, ThCuAsO, ThAgPO, and…
Intermediate spin states that occur in electrostatic dots in the magnetic field regime just beyond the maximum density droplet are investigated. The 5-electron system is studied with exact diagonalization and group theory. The results…
Topological band insulators and (semi-) metals can arise out of atomic insulators when the hopping strength between electrons increases. Such topological phases are separated from the atomic insulator by a bulk gap closing. In this work, we…
The band structure of a novel type of photonic crystal with superconducting constituent elements is calculated numerically via a plane wave expansion. The density of states and the dependence of the width of the photonic gap on the filling…
We perform a magneto-infrared spectroscopy study of the semiconductor to semimetal transition of InAs/GaSb double quantum wells from the normal to the inverted state. We show that owing to the low carrier density of our samples (approaching…