scholarly journals Hexagonal boron nitride: optical properties in the deep ultraviolet

2021 ◽  
Vol 22 (S4) ◽  
pp. 1-8
Author(s):  
Guillaume Cassabois ◽  
Adrien Rousseau ◽  
Christine Elias ◽  
Thomas Pelini ◽  
Phuong Vuong ◽  
...  
2018 ◽  
Vol 32 (06) ◽  
pp. 1850084 ◽  
Author(s):  
Yi-Min Ding ◽  
Jun-Jie Shi ◽  
Min Zhang ◽  
Meng Wu ◽  
Hui Wang ◽  
...  

It is difficult to integrate two-dimensional (2D) graphene and hexagonal boron-nitride (h-BN) in optoelectronic nanodevices, due to the semi-metal and insulator characteristic of graphene and h-BN, respectively. Using the state-of-the-art first-principles calculations based on many-body perturbation theory, we investigate the electronic and optical properties of h-BN nanosheet embedded with graphene dots. We find that C atom impurities doped in h-BN nanosheet tend to phase-separate into graphene quantum dots (QD), and BNC hybrid structure, i.e. a graphene dot within a h-BN background, can be formed. The band gaps of BNC hybrid structures have an inverse relationship with the size of graphene dot. The calculated optical band gaps for BNC structures vary from 4.71 eV to 3.77 eV, which are much smaller than that of h-BN nanosheet. Furthermore, the valence band maximum is located in C atoms bonded to B atoms and conduction band minimum is located in C atoms bonded to N atoms, which means the electron and hole wave functions are closely distributed around the graphene dot. The bound excitons, localized around the graphene dot, determine the optical spectra of the BNC hybrid structures, in which the exciton binding energies decrease with increase in the size of graphene dots. Our results provide an important theoretical basis for the design and development of BNC-based optoelectronic nanodevices.


2018 ◽  
Vol 26 (18) ◽  
pp. 23031 ◽  
Author(s):  
David Arto Laleyan ◽  
Kelsey Mengle ◽  
Songrui Zhao ◽  
Yongjie Wang ◽  
Emmanouil Kioupakis ◽  
...  

SPIE Newsroom ◽  
2016 ◽  
Author(s):  
Guillaume Cassabois ◽  
Pierre Valvin ◽  
Bernard Gil

2019 ◽  
Vol 7 (47) ◽  
pp. 14999-15006 ◽  
Author(s):  
Menglei Gao ◽  
Junhua Meng ◽  
Yanan Chen ◽  
Siyuan Ye ◽  
Ye Wang ◽  
...  

Catalyst-free growth of wafer-scale h-BN few-layers is realized on sapphire substrates by the combination of surface nitridation and N+ sputtering.


2014 ◽  
Vol 20 (4) ◽  
pp. 1053-1059 ◽  
Author(s):  
Nicholas L. McDougall ◽  
Rebecca J. Nicholls ◽  
Jim G. Partridge ◽  
Dougal G. McCulloch

AbstractHexagonal boron nitride (hBN) is a promising material for a range of applications including deep-ultraviolet light emission. Despite extensive experimental studies, some fundamental aspects of hBN remain unknown, such as the type of stacking faults likely to be present and their influence on electronic properties. In this paper, different stacking configurations of hBN are investigated using CASTEP, a pseudopotential density functional theory code. AB-b stacking faults, in which B atoms are positioned directly on top of one another while N atoms are located above the center of BN hexagons, are shown to be likely in conventional AB stacked hBN. Bandstructure calculations predict a single direct bandgap structure that may be responsible for the discrepancies in bandgap type observed experimentally. Calculations of the near edge structure showed that different stackings of hBN are distinguishable using measurements of core-loss edges in X-ray absorption and electron energy loss spectroscopy. AB stacking was found to best reproduce features in the experimental B and N K-edges. The calculations also show that splitting of the 1s to π* peak in the B K-edge, recently observed experimentally, may be accounted for by the presence of AB-b stacking faults.


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