相关论文: Short-range order in GeSn alloy
Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagonal polytypes (2$H$, 4$H$ and 6$H$) of silicon and germanium…
Mg-IV-N\textsubscript{2} compounds with IV=Si, Ge, Sn are ultra-wide band gap semiconductors with various potential electronic and optoelectronic applications. They share the \textit{Pna}2\textsubscript{1} space group crystal structure.…
We investigate a hexagonal ScAl$_3$C$_3$-type antiferromagnet GdZn$_3$P$_3$ single crystal. Compared with antiferromagnetic topological material EuM$_2$X$_2$ (M=Zn, Cd; X=P, As), the GdZn$_3$P$_3$ features an additional ZnP$_3$ trigonal…
Boron aluminum nitride (B$_x$Al$_{1-x}$N) is a promising material for next-generation electronic and optoelectronic devices due to its ultra-wide bandgap, high thermal stability, and compatibility with other III-nitride semiconductors.…
In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…
Following the success of p-Ge hot-hole lasers, there is also potential for using other semiconductor materials, notably III-V's such as GaAs and InSb. Previous analysis had suggested that a large effective mass ratio between the heavy and…
The equilibrium vacancy concentration in multi-principal element alloys remains a controversial and nontrivial subject, primarily because of chemical complexity and chemical short-range order (CSRO). Here we derive an exact expression that…
The performance of strained silicon as the channel material for transistors has plateaued. Motivated by increasing charge-carrier mobility within the device channel to improve transistor performance, germanium (Ge) is considered as an…
Characterization of medium-range order in amorphous materials and its relation to short-range order is discussed. A new topological approach is presented here to extract a hierarchical structure of amorphous materials, which is robust…
Thermophotovoltaic (TPV) cells are increasingly attractive for applications in industrial waste heat harvesting, aerospace energy management, and compact power generation. Deploying midwave-infrared (MWIR) TPV in practical applications…
In solids, chemical short-range order (CSRO) refers to the self-organisation of atoms of certain species occupying specific crystal sites. CSRO is increasingly being envisaged as a lever to tailor the mechanical and functional properties of…
Ge_(1-x)Sn_x alloys have proved difficult to form at large x, contrary to what happens with other group IV semiconductor combinations. However, at low x they are typical examples of well-behaved substitutional compounds, which is desirable…
The ordered structure of MgO-ZnO alloy system is a versatile tunable optical material promising for diverse optoelectronic applications. However, isovalent and isostructural alloy compositions of MgO-ZnO are generally unstable at ambient…
The effects of atomic short-range order on the properties of Pb(Zr_{1-x}Ti_x)O_3 alloy in its morphotropic phase boundary (MPB) are predicted by combining first-principles-based methods and annealing techniques. Clustering is found to lead…
We employ a combination of pseudopotential and all-electron density functional calculations, to relate the structure of defects in supercells to the isomer shifts and quadrupole splittings observed in M\"ossbauer spectroscopy experiments.…
Segregation to defects, in particular to grain boundaries (GBs), is an unavoidable phenomenon leading to changed material behavior over time. With the increase of available computational power, unbiased quantum-mechanical predictions of…
We report electrical measurements on hexagonal silicon-germanium (hex-SiGe), a group IV alloy with direct bandgap. Electrical contacts are formed by metal alloying and doping is achieved using ion implantation. The metastable hex-SiGe phase…
Subgroup discovery (SGD) is presented here as a data-mining approach to help find interpretable local patterns, correlations, and descriptors of a target property in materials-science data. Specifically, we will be concerned with data…
It is well-known that band gaps, in the frequency domain, can be achieved by using periodic metamaterials. However it has been challenging to design materials with broad band gaps or that have multiple overlapping band gaps. For periodic…
The remarkably large persistent currents that are observed in disordered micron-scale gold rings at low temperatures have recently been explained in a theory of non-interacting electrons scattered by crystal grain boundaries. The present…