Related papers: Uniaxially stressed germanium with fundamental dir…
The improved photocatalytic water splitting using 2D materials has technological importance for economically viable renewable energy. The present study focuses on the effect of uniaxial, biaxial, and vertical strain on the energy gap and…
We predict that electron-doped silicene is a good two-dimensional electron-phonon superconductor under biaxial tensile strain by first-principles calculations within rigid band approximation. Superconductivity transition temperature of…
Recent experiments showed that thinning gallium, iron selenide and 2H tantalum disulfide to single/several monoatomic layer(s) enhances their superconducting critical temperatures. Here, we characterize these superconductors by extracting…
Recent research has revealed that cubic boron arsenide (BAs) exhibits a non-monotonic pressure dependence of lattice thermal conductivity ($\kappa_{\rm L}$) under isotropic strain. Here, through rigorous first-principles calculations, we…
Recent experiments in La$_{1-x}$Ba$_x$MnO$_3$ thin films by Zhang {\it et al.} {[Phys. Rev. B {\bf 64}, 184404 (2001)]} showed that the ferromagnetic Curie temperature $T_c$ is enhanced (reduced) by tensile (compressive) strain. The results…
We study the effect of uniaxial strain on the transmission and the conductivity across a strain-induced barrier in graphene. At variance with conventional studies, which consider sharp barriers, we consider a more realistic, smooth barrier,…
In an ideal germanium detector, fully-absorbed monoenergetic gamma-rays will appear in the measured spectrum as a narrow peak, broadened into a Gaussian of width determined only by the statistical properties of charge cloud generation and…
We investigate the temperature effect on the electronic band structure and optical absorption property of wide-band-gap ternary nitride MgSiN$_2$ using first-principles calculations. We find that electron-phonon coupling leads to a sizable…
First principles calculations were performed to study strain effects on band gap of armchair graphene nanoribbons (AGNRs)with different edge passivation, including H, O, and OH group. The band gap of the H-passivated AGNRs shows a nearly…
We investigate the effects of strain on a crystal surface close to the bulk melting temperature T_m, where surface melting usually sets in. Strain lowers the bulk melting point, so that at a fixed temperature below but close to T_m the…
We investigate the in-plane oscillations of the relaxed shape graphene due to externally applied tensile edge stress along both the armchair and zigzag directions. We show that the total elastic energy density is enhanced with temperature…
As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…
We investigate the effect of 2-dimensional (in-plane) strain on the critical transition temperature TH from the photoexcited hidden state in 1T-TaS$_2$ thin films on different substrates. We also measure the effect of in-plane strain on the…
Thermal variation of structural property, linear thermal expansion coefficient, resistivity, thermopower and power factor of polycrystalline Bi1-xSbx (x=0.10, 0.14) samples are reported. Temperature-dependent powder diffraction experiments…
We have performed a systematic first-principles study of the effect of tensile strains on the electronic properties of early transition-metal dichalcogenide (TMDC) monolayers MX2 (M = Sc, Ti, Zr, Hf, Ta, Cr; X = S, Se, and Te). Our…
We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the…
We performed a first-principles study of the electronic behavior of a 2D hexagonal boron phosphide monolayer (2D-h-BP). The system was deformed isotropically by applying a simultaneous tensile strain along the a and b crystal axes. We…
We investigate the effect of uniaxial heterostrain on the interacting phase diagram of magic-angle twisted bilayer graphene. Using both self-consistent Hartree-Fock and density-matrix renormalization group calculations, we find that small…
Unlike in conventional semiconductors, both the chemical potential and the band gap in bilayer graphene (BLG) can be tuned via application of external electric field. Among numerous device implications, this property also designates BLG as…
We report a room-temperature optical reflectivity study performed on [112]-oriented Cd$_3$As$_2$ single crystals over a broad energy range under external pressure up to 10 GPa. The abrupt drop of the band dispersion parameter…