Fluorinated h-BN as a magnetic semiconductor

نویسندگان

  • Sruthi Radhakrishnan
  • Deya Das
  • Atanu Samanta
  • Carlos A de Los Reyes
  • Liangzi Deng
  • Lawrence B Alemany
  • Thomas K Weldeghiorghis
  • Valery N Khabashesku
  • Vidya Kochat
  • Zehua Jin
  • Parambath M Sudeep
  • Angel A Martí
  • Ching-Wu Chu
  • Ajit Roy
  • Chandra Sekhar Tiwary
  • Abhishek K Singh
  • Pulickel M Ajayan
چکیده

We report the fluorination of electrically insulating hexagonal boron nitride (h-BN) and the subsequent modification of its electronic band structure to a wide bandgap semiconductor via introduction of defect levels. The electrophilic nature of fluorine causes changes in the charge distribution around neighboring nitrogen atoms in h-BN, leading to room temperature weak ferromagnetism. The observations are further supported by theoretical calculations considering various possible configurations of fluorinated h-BN structure and their energy states. This unconventional magnetic semiconductor material could spur studies of stable two-dimensional magnetic semiconductors. Although the high thermal and chemical stability of h-BN have found a variety of uses, this chemical functionalization approach expands its functionality to electronic and magnetic devices.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

بررسی خواص مغناطیسی تک اتم‌های فلزات واسط 3d افزوده شده بر روی بورن نیتراید شش گوشی دوبعدی

In the frame work of relativistic density functional theory, using full potential local orbital band structure scheme (FPLO), the magnetic properties of single 3d transition metals (3d-TM) adsorbed on 2D hexagonal boron nitride (2D h-BN) are investigated. Binding energies between 3d-TM adatoms and 2D h-BN in three different compositions, local spin magnetic moments of 3d-TM and total spin magne...

متن کامل

Ethyl acetylene adsorption on the surface of a BN nanotube: A Computational study

Abstract: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward ethyl acetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube has been doped with Si an...

متن کامل

Metal-free spin and spin-gapless semiconducting heterobilayers: monolayer boron carbonitrides on hexagonal boron nitride.

The interfaces between monolayer boron carbonitrides and hexagonal boron nitride (h-BN) play an important role in their practical applications. Herein, we respectively investigate the structural and electronic properties of two metal-free heterobilayers constructed by vertically stacking two-dimensional (2D) spintronic materials (B4CN3 and B3CN4) on a h-BN monolayer from the viewpoints of latti...

متن کامل

Tunable doping and band gap of graphene on functionalized hexagonal boron nitride with hydrogen and fluorine.

First-principles calculations have been used to investigate the structural and electronic properties of graphene supported on functionalized hexagonal boron nitride (h-BN) with hydrogen and fluorine atoms. Our results show that the hydrogenation and fluorination of the h-BN substrate modify the electronic properties of graphene. Interactions of graphene with fully hydrogenated or fully fluorina...

متن کامل

Pyrrole adsorption on the surface of a BN nanotube: A Computational study

Abstract: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward pyrrole (C5H6N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of pyrrole on the pristine nanotubes is a bout -16.37kcal/mol. But when nanotube have been doped with Si and Al atom...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 3  شماره 

صفحات  -

تاریخ انتشار 2017