相关论文: High-pressure characterization of Ag$_3$AuTe$_2$: …
Previous band structure calculations predicted Ag3AuSe2 to be a semiconductor with a band gap of approximately 1 eV. Here, we report single crystal growth of Ag3AuSe2 and its transport and optical properties. Single crystals of Ag3AuSe2…
High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I ({\beta}-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and…
In this work we study the electronic structure of Ag${}_3$AuSe${}_2$ and Ag${}_3$AuTe${}_2$, two chiral insulators whose gap can be tuned through small changes in the lattice parameter by applying hydrostatic pressure or choosing different…
We have studied the structural and electronic properties of defect chalcopyrite semiconductors AAl2Se4 (A = Ag, Cu, Cd, Zn) using Density Functional Theory (DFT) based first principle technique within Tight binding Linear Muffin Tin orbital…
The present study demonstrates a large enhancement in the Seebeck coefficient and ultralow thermal conductivity (TE) in Sb$_2$Te$_3$-AgSbTe$_2$ nanocomposite thin film. The addition of Ag leads to the in-situ formation of AgSbTe$_2$…
We have carried out ab-initio calculation and study of structural and electronic properties of AgAlM2 (M = S, Se, Te) chalcopyrite semiconductors using Density Functional Theory (DFT) based self consistent Tight binding Linear Muffin Tin…
We report a theoretical \textit{ab-initio} study of $\beta$-As$_2$Te$_3$ ($R\bar{3}m$ symmetry) at hydrostatic pressures up to 12 GPa. We have systematically characterized the vibrational and electronic changes of the system induced by the…
We report a novel high pressure structural sequence for the functionally graded thermoelectric, narrow band gap semiconductor AgSbTe$_{2}$, using angle dispersive x-ray diffraction in a diamond anvil cell with synchrotron radiation at room…
In this article, a brief introduction is first given on infrared studies of materials at high pressures using a diamond anvil cell. Then, our recent results of high-pressure infrared studies are described for Mg$_2$Si, InAs, and InSb. For…
Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is powerful tool for tuning their crystal structure and electronic structure away from their…
Pressure induced electronic topological transitions in the wide band gap semiconductor Sb2S3 (Eg = 1.7-1.8 eV) with similar crystal symmetry (SG: Pnma) to its illustrious analog, Sb2Se3, has been studied using Raman spectroscopy,…
Pressure tuning has emerged as a powerful strategy for manipulating the thermoelectric properties of materials by inducing structural and electronic modifications. Herein, we systematically investigate the transport properties and…
In this study, we highlight the potential of strain engineering in graphene/hBN (hexagonal Boron nitride) 2D heterostructures, enabling their use as wide-range light absorbers with significant implications for optoelectronic applications.…
Recent studies have predicted that magnetic EuCd2As2 can host several different topological states depending on its magnetic order, including a single pair of Weyl points. Here we report on the bulk properties and band inversion induced by…
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investigate the properties of BAs heterostructures, such as strain…
Two-dimensional layered semiconductor black phosphorus (BP), a promising pressure induced Dirac system as predicted by band structure calculations, has been studied by $^{31}$P-nuclear magnetic resonance. Band calculations have been also…
Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene. Here, we…
We study the effect of uniaxial strain on the band structure of ZrSe$_3$, a semiconducting material with a marked in-plane structural anisotropy. By using a modified 3-point bending test apparatus, thin ZrSe$_3$ flakes were subjected to…
We explore the structural, magnetic, vibrational and optical band gap properties under varying pressures. By integrating first-principles calculations with experimental techniques, including Raman spectroscopy, photoluminescence (PL),…
The electronic transport properties and optical properties of lead(II) chromate (PbCrO4) have been studied at high pressure by means of resistivity, Hall-effect, and optical-absorption measurements. Band-structure first-principle…