相关论文: Strain Fields and the Electronic Structure of Anti…
Strain engineering provides the ability to control the ground states and associated phase transition in the epitaxial films. However, the systematic study of intrinsic characters and their strain dependency in transition-metal nitrides…
Antiferromagnets hosting structural or magnetic order that breaks time reversal symmetry are of increasing interest for 'beyond von Neumann computing' applications because the topology of their band structure allows for intrinsic physical…
The interaction between a graphene layer and a hexagonal Boron Nitride (hBN) substrate induces lateral displacements and strains in the graphene layer. The displacements lead to the appearance of commensurate regions and the existence of an…
We investigate the electronic structure of Chromium Nitride (CrN) across the first-order magneto-structural transition at T_N ~ 286 K. Resonant photoemission spectroscopy shows a gap in the 3d partial density of states at the Fermi level…
Strain has a crucial effect on the optical and electronic properties of nanostructures. We calculate the atomistic strain distribution in silicon nanocrystals up to a diameter of 3.2 nm embedded in an amorphous silicon dioxide matrix. A…
We demonstrate how shape-induced strain can be used to control antiferromagnetic order in NiO/Pt thin films. For rectangular elements patterned along the easy and hard magnetocrystalline anisotropy axes of our film, we observe different…
We analyze the effect of tensional strain in the electronic structure of graphene. In the absence of electron-electron interactions, within linear elasticity theory, and a tight-binding approach, we observe that strain can generate a bulk…
We determine the band structure of graphene under strain using density functional calculations. The ab-initio band strucure is then used to extract the best fit to the tight-binding hopping parameters used in a recent microscopic model of…
We have applied density-functional theory (DFT) based calculations to investigate the size and strain effects on the electronic properties, such as band structures, energy gaps, and effective masses of the electron and the hole, in Si…
Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band…
The influence of various strains on crystal and electronic structures of superconducting FeSe has been studied ab initio. We consider changes in the Fermi surface nesting with a vector Q=(0.5,0.5)*(2\pi /a) as crucial for rising…
In a material prone to a nematic instability, anisotropic strain in principle provides a preferred symmetry-breaking direction for the electronic nematic state to follow. This is consistent with experimental observations, where electronic…
Within the tight binding approximation, we study the dependence of the electronic band structure and of the optical conductivity of a graphene single layer on the modulus and direction of applied uniaxial strain. While the Dirac cone…
The magnetic ground state of RuO$_2$ has been under intense debate. Using first-principles calculations, we show that compressive strain along [001] direction stabilizes an altermagnetic phase in RuO$_2$ thin films grown on (100) and (110)…
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures.…
Strain engineering is one of the key technologies for using graphene as an electronic device: the strain-induced pseudo-gauge field reflects Dirac electrons, thus opening the so-called conduction gap. Since strain accumulates in…
The band structures of strained graphene nanoribbons (GNRs) are examined by a tight binding Hamiltonian that is directly related to the type and strength of strains. Compared to the two-dimensional graphene whose band gap remains close to…
A large electric field is typically present in anodic or passive oxide films. Stresses induced by such a large electric field are critical in understanding the breakdown mechanism of thin oxide films and improving their corrosion…
Spatially nonuniform strain is important for engineering the pseudomagnetic field and band structure of graphene. Despite the wide interest in strain engineering, there is still a lack of control on device-compatible strain patterns due to…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…