Related papers: Strain Tunable Phononic Topological Bandgaps in Tw…
Employing the density-functional theory with local density approximation, we show that the fully hydrogenated monolayer-hexagonal boron nitride (H$_2$BN) has a direct-band gap of 2.96 eV in the blue-light region while the pristine…
Spectral gaps in the vibrational modes of disordered solids are key design elements in the synthesis and control of phononic metamaterials that exhibit a plethora of novel elastic and mechanical properties. However, reliably producing these…
Twisted two-dimensional structures open new possibilities in band structure engineering. At magic twist angles, flat bands emerge, which give a new drive to the field of strongly correlated physics. In twisted double bilayer graphene dual…
Antimonene has attracted much attention for its high carrier mobility and suitable band gap for electronic, optoelectronic, and even spintronic devices. To tailor its properties for such applications, strain engineering may be adopted.…
Folded regions are commonly encountered in a number of hexagonal boron nitride (h-BN) based bulk and nanostructured materials. Two types of structural modifications occur in folded h-BN layers: local curvature at the folded edges and…
Since the discovery of superconductive twisted bilayer graphene which initiated the field of twistronics, moir\'e systems have not ceased to exhibit fascinating properties. We demonstrate that in boron nitride twisted bilayers, for a given…
Heterostructures of atomically-thin materials have attracted significant interest owing to their ability to host novel electronic properties fundamentally distinct from their constituent layers. In the case of graphene on boron nitride, the…
In this Letter, we investigate the strain-induced band-gap modulation of both armchair and zigzag graphane nanoribbons based on the first-principles calculations. Within the elastic range, the band gap changes linearly with the uniaxial…
Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s-p orbital hybridization, distinctively different from other 2D materials such as sulfides/selenides and semi-metallic graphene.…
The vibrational and electronic properties of 2-dimensinal (2D) materials can be efficiently tuned by external strain due to their good stretchability. Resonant Raman spectroscopy is a versatile tool to study the physics of phonons,…
Encapsulating graphene in hexagonal Boron Nitride has several advantages: the highest mobilities reported to date are achieved in this way, and precise nanostructuring of graphene becomes feasible through the protective hBN layers.…
The ability to tune the gaps of direct bandgap materials has tremendous potential for applications in the fields of LEDs and solar cells. However, lack of reproducibility of bandgaps due to quantum confinement observed in experiments on…
Guiding energy deliberately is one of the central elements in engineering and information processing. It is often achieved by designing specific transport channels in a suitable material. Topological metamaterials offer a way to construct…
Topological phonon states in crystalline materials have attracted significant research interests due to their importance for fundamental physical phenomena, yet their implication on phonon thermal transport remains largely unexplored. Here,…
Strain engineering is a versatile method to boost the carrier mobility of two-dimensional materials-based electronics and optoelectronic devices. In addition, strain is ubiquitous during device fabrication via material deposition on a…
This paper presents a systematic study of two and one dimensional honeycomb structure of boron nitride (BN) using first-principles plane wave method. Two-dimensional (2D) graphene like BN is a wide band gap semiconductor with ionic bonding.…
Understanding the emergent electronic structure in twisted atomically thin layers has led to the exciting field of twistronics. However, practical applications of such systems are challenging since the specific angular correlations between…
Mechanical strain is a powerful technique for tuning electronic structure and interactions in quantum materials. In a system with tetragonal symmetry, a tunable uniaxial in-plane strain can be used to probe nematic correlations in the same…
We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density…
Strain engineering is a powerful tool for tuning physical properties of 2D materials, including monolayer transition metal dichalcogenides (TMD) -- direct bandgap semiconductors with strong excitonic response. Here, we demonstrate an…