Search
Search Results
-
Asymmetry in flavour changing electromagnetic transitions of vector-like quarks
Vector-like quarks have been of interest for a plethora of experimentally motivated reasons and have come under increased investigation recently due...
-
Pressure-tuning domain-wall chirality in noncentrosymmetric magnetic Weyl semimetal CeAlGe
Topological magnetic Weyl semimetals have been proposed to host controllable chiral domain walls which bear a great prospect in device applications....
-
Light-induced magnetic phase transition in van der Waals antiferromagnets
Control over magnetic properties by optical stimulation is not only interesting from the physics point of view, but also important for practical...
-
Tunable piezoelectric and ferroelectric responses of Al1−xScxN: The role of atomic arrangement
In this study, we present first-principles investigations of the atomic structure of Al 1− x Sc x N and its influence on its piezoelectric and...
-
Anisotropic magnetism and band evolution induced by ferromagnetic phase transition in titanium-based kagome ferromagnet SmTi3Bi4
Kagome magnets with diverse topological quantum responses are crucial for next-generation topological engineering. The anisotropic magnetism and band...
-
Facile intercalation of alkali ions in WO3 for modulated electronic and optical properties: Implications for artificial synapses and chromogenic application
Tungsten oxides (WO 3 ) are widely recognized as multifunctional systems owing to the existence of rich polymorphs. These diverse phases exhibit...
-
Multiple Dirac points including potential spin-orbit Dirac points in nonsymmorphic HfGe0.92Te
The search for new materials with Dirac points has been a fascinating subject of condensed matter physics. Here we first report the growth and band...
-
Topological and superconducting properties of monolayered CoN and CoP: A first-principles comparative study
Two-dimensional systems that simultaneously harbor superconductivity and nontrivial band topology may serve as appealing platforms for realizing...
-
Physisorption and Chemisorption of SF6 by Transition Metal-Porphyrin Structure Embedded on Graphene Surface with Different Hapticities
The adsorption of sulfur hexafluoride (SF 6 ) by a transition metal-porphyrin structure embedded on the surface of graphene (MN 4 -graphene) was...
-
Nonlocal optical conductivity of Fermi surface nesting materials
We investigate the nonlocal optical conductivity of Fermi surface nesting materials that support charge density waves (CDWs) or spin density waves...
-
Charge Density Wave Transition in Monolayer CuTe driven by Coulomb Correlation
Dimensionality control provides a route to adjust physical properties in van der Waals layered materials. Bulk CuTe forming a layered structure...
-
Hydration of Cells and Tissues
Biological cells consist of cytoplasm, which contains many biomolecules such as proteins and nucleic acids, enclosed within a membrane. Tissues are...
-
Theoretical study of the effects of alloying elements on Cu nanotwins
Nanotwins form in many metallic materials to improve their strength and toughness. In this study, we thoroughly studied the alloying effects of 10...
-
Large spin Hall effect and tunneling magnetoresistance in iridium-based magnetic tunnel junctions
Magnetic tunnel junctions (MTJs) switched by spin-orbit torque (SOT) have attracted substantial interest owing to their advantages of ultrahigh speed...
-
First-Principles Study of the Influence of Zirconium on the Diffusion of Uranium Defects in Uranium Dioxide
The migration properties of uranium vacancies and interstitials in zirconium-doped uranium dioxide are studied by using density functional theory...
-
Hybrid-Functional and Quasi-Particle Calculations of Band Structures of Mg2Si, Mg2Ge, and Mg2Sn
We perform hybrid functional and quasi-particle band structure calculations with spin-orbit interaction to investigate the band structures of Mg 2 Si,...
-
First-Principles Study of the Elastic, Hardness and Electronic Properties of MoAlB under High Pressure
The structure, elastic and electronic properties of MoAlB have been studied under high pressure by using first principles. The optimized lattice...
-
Enhancing the Thermoelectric Properties of Layered Bi2O2Q (Q = S, Se): the Effect of Mixed Chalcogen Net
The layered semiconductors Bi 2 O 2 Q (Q = S, Se) consists of Bi 2 O 2 layers sandwiched by Q square nets. On the basis of density functional theory...
-
Magnetism in α-RuCl3: Dependence on Coulomb Interaction and Hund’s Coupling
Employing the density functional theory, we have investigated the roles of Coulomb and Hund’s interactions in the electronic and magnetic properties...
-
Van der Waals Density Functional Theory Study of Molecular Adsorbates on MoX2(X = S, Se or Te)
We have investigated binding properties between molecular adsorbates and transition metal dichalcogenide (TMD) such as MoS 2 , MoSe 2 , and MoTe 2 using...