Related papers: Short-range order in GeSn alloy
The cubic $Ia\bar{3}$ (BC8) and tetragonal $P4_32_12$ (ST12) high pressure modifications of Si and Ge are attractive candidates for applications in optoelectronic, thermoelectric or plasmonic devices. Si$_x$Ge$_{1-x}$ alloys in BC8/ST12…
The underlying structural order that transcends the liquid, glass and crystalline states is identified using an efficient genetic algorithm (GA). GA identifies the most common energetically favorable packing motif in crystalline structures…
We present a simple ionic model which successfully reproduces the various types of compositional long-range order observed in a large class of complex insulating perovskite alloys. The model assumes that the driving mechanism responsible…
Defective half-Heusler systems X(1-x)YZ with large amounts of intrinsic vacancies, such as Nb(1-x)CoSb, Ti(1-x)NiSb and V(1-x)CoSb, are a group of promising thermoelectric materials. Even with high vacancy concentrations they maintain the…
Short-range order (SRO) in Fe-rich Fe-Cr alloys is investigated by means of atomistic off-lattice Monte Carlo simulations in the semi-grand canonical ensemble using classical interatomic potentials. The SRO parameter defined by Cowley…
Engineering light absorption in the extended short-wave infrared (e-SWIR) range using scalable materials is a long-sought-after capability that is crucial to implement cost-effective and high-performance sensing and imaging technologies.…
Order-disorder transformations hold an essential place in chemically complex high-entropy ferritic-steels (HEFSs) due to their critical technological application. The chemical inhomogeneity arising from mixing of multi-principal elements of…
In our understanding of solids, the formation of highly spatially coherent electronic states, fundamental to command the quantum behavior of materials, relies on the existence of discrete translational symmetry of the crystalline lattice.…
For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…
High-order harmonic generation (HHG) is a powerful tool for probing electronic structure and ultrafast dynamics in matter. Traditionally studied in atomic and molecular gases, HHG has recently been extended to condensed matter, enabling…
This paper reports the presence of extended-range ordering in the atomic pair-correlation function of amorphous silicon ($a$-Si) using ultra-large atomistic models obtained from Monte Carlo and molecular-dynamics simulations. The…
Silicon-compatible short- and mid-wave infrared emitters are highly sought-after for on-chip monolithic integration of electronic and photonic circuits to serve a myriad of applications in sensing and communication. To address this…
Electronic properties of III-V semiconductor alloys are examined using first principles with the focus on the spatial localization of electronic states. We compare localization at the band edges due to various isovalent impurities in a host…
As pointed out by Linus Pauling in his classic work on the relationship between crystal packing and ionic radius ratio, a difference in atomic size can be accommodated more readily by an ordered structure than by a disordered one. Because…
Attaining low resistivity AlGaN layers is the keystone to improve the efficiency of light emitting devices in the ultraviolet spectral range. Here, we present a microstructural analysis of Ge-doped AlGaN samples with Al mole fraction from…
Boron (B) containing III-nitride materials, such as wurtzite (B,Ga)N alloys, have recently attracted significant interest to tailor the electronic and optical properties of optoelectronic devices operating in the visible and ultraviolet…
Recently, the nodal line semimetals have attracted considerable interests in condensed matter physics. We show that their distinct band structure can be detected by measuring the collective modes. In particular, we find that the dependence…
The presence, nature, and impact of chemical short-range order in the multi-principal element alloy CrCoNi are all topics of current interest and debate. First-principles calculations reveal that its origins are fundamentally magnetic,…
In$_2$Se$_3$ in the three-dimensional (3D) hexagonal crystal structure with space group $P6_1$ ($\gamma$-In$_2$Se$_3$) has a direct band gap of $\sim$1.8 eV and high absorption coefficient, making it a promising semiconductor material for…
In this review we consider glass states of several disordered systems: vortices in impure superconductors, amorphous magnets, and nematic liquid crystals in random porous media. All these systems can be described by the random-field or…