Half-metallicity in armchair boron nitride nanoribbons: A first-principles study
نویسندگان
چکیده
منابع مشابه
First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride.
Transition metal-free magnetism and half-metallicity recently has been the subject of intense research activity due to its potential in spintronics application. Here we, for the first time, demonstrate via density functional theory that the most recently experimentally realized graphitic carbon nitride (g-C4N3) displays a ferromagnetic ground state. Furthermore, this novel material is predicted...
متن کاملHalf-metallicity in hybrid BCN nanoribbons.
The established chemical synthetic strategy toward graphene nanoribbons has greatly prompted and justified the research of theoretical designs of novel materials based on graphene. In this paper, we report the novel half-metallicity in C and BN hybrid zigzag nanoribbons even though stand-alone C or BN nanoribbon possesses a finite band gap. By performing first-principles electronic-structure ca...
متن کاملBoron Fullerenes: A First-Principles Study
A family of unusually stable boron cages was identified and examined using first-principles local-density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing double-rings. The energetically most stable fullerene is made up of 180 boron atoms. A connection between the fullerene family and its precursors, boron sheets, is made....
متن کاملOxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study.
Two-dimensional (2D) hexagonal boron-nitride oxide (h-BNO) is a structural analogue of graphene oxide. Motivated by recent experimental studies of graphene oxide, we have investigated the chemical oxidation of 2D h-BN sheet and the associated electronic properties of h-BNO. Particular emphasis has been placed on the most favorable site(s) for chemisorption of atomic oxygen, and on the migration...
متن کاملInhomogeneous strain-induced half-metallicity in bent zigzag graphene nanoribbons
Realization of half-metallicity in low dimensional materials is a fundamental challenge for nano spintronics, which is a critical component for next-generation information technology. Using the method of generalized Bloch theorem, we show that an in-plane bending can induce inhomogeneous strains, which in turn lead to spin-splitting in zigzag graphene nanoribbons and results in the highly desir...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Solid State Communications
سال: 2015
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2015.04.003