Calculation of ground-state and optical properties of boron nitrides in the hexagonal, cubic, and wurtzite structures

Xu, Yong‐Nian; Ching, W. Y.

doi:10.1103/physrevb.44.7787

Cited by 459 publications

(279 citation statements)

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“…This value is close to the direct band gap (4.2 eV at zero temperature) predicted in Ref. [1]. We have also studied the excitation power dependence of the PL peaks.…”

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confidence: 53%

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Raman Spectroscopy and Time-Resolved Photoluminescence of BN and B_xC_yN_z Nanotubes

et al. 2004

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RECEIVED DATE ( )We report Raman and time-resolved photoluminescence spectroscopic studies of multiwalled BN and B x C y N z nanotubes. The Raman spectroscopy shows that the as-grown B x C y N z nanotubes are radially phase separated into BN shells and carbon shells. The photoluminescence decay process is characterized by two time constants that are attributed to intra-and inter-BN sheet charge recombination, respectively. Comparison of the photoluminescence of BN nanotubes to that of hexagonal BN is consistent with the existence of a spatially indirect band gap in multi-walled BN nanotubes as predicted by theory.Hexagonal boron nitride (h-BN) is iso-structural with graphite and is the normal phase of BN that is stable at room temperature and ambient pressure. It is a wide band gap semiconductor with potential applications in optoelectronic devices. First-principles local-density calculations have shown that the lowest band gap (4.07 eV) is indirect, located near the Brillouin-zone edges. However, due to the quasitwo dimensional nature of the hexagonal structure, the lowest direct band gap is predicted to be close by

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“…This value is close to the direct band gap (4.2 eV at zero temperature) predicted in Ref. [1]. We have also studied the excitation power dependence of the PL peaks.…”

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confidence: 53%

“…2 at 4.2 eV [1]. A wide range of lowest gap energies, such as 3.8 eV [2], 4.3 eV [3], 5.2 eV [4] and 5.9 eV [5], have been reported by experimental studies using various techniques.…”

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confidence: 99%

Raman Spectroscopy and Time-Resolved Photoluminescence of BN and B_xC_yN_z Nanotubes

et al. 2004

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“…The asymmetry of the observed hysteresis suggests that tunnelling of electrons and holes at positive and negative gate voltages is asymmetric. This asymmetry can be due to different tunnel barrier heights for electrons and holes 13 , or a larger effective mass of holes (m h ¼ 0.5 m 0 ) than electrons (m e ¼ 0.26 m 0 ) in hBN 38 . A large electron tunnelling probability 39 can lead to a gate-independent channel current at positive gate voltages, as shown in GBM2 and GBM3; electrons in the graphene tunnel rapidly into the MoS 2 trap layer and then screen the electric field from the back gate to reach the graphene channel, whereas the low possibility of holetunnelling process does not provide enough charge for screening.…”

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confidence: 99%

Controlled charge trapping by molybdenum disulphide and graphene in ultrathin heterostructured memory devices

et al. 2013

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Atomically thin two-dimensional materials have emerged as promising candidates for flexible and transparent electronic applications. Here we show non-volatile memory devices, based on field-effect transistors with large hysteresis, consisting entirely of stacked two-dimensional materials. Graphene and molybdenum disulphide were employed as both channel and charge-trapping layers, whereas hexagonal boron nitride was used as a tunnel barrier. In these ultrathin heterostructured memory devices, the atomically thin molybdenum disulphide or graphene-trapping layer stores charge tunnelled through hexagonal boron nitride, serving as a floating gate to control the charge transport in the graphene or molybdenum disulphide channel. By varying the thicknesses of two-dimensional materials and modifying the stacking order, the hysteresis and conductance polarity of the field-effect transistor can be controlled. These devices show high mobility, high on/off current ratio, large memory window and stable retention, providing a promising route towards flexible and transparent memory devices utilizing atomically thin two-dimensional materials.

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“…It must also be pointed out that the 7r* resonance intensity at the B-K edge is much higher than that observed at the N-K edge. This occurs because the densities of empty 7r* states are different for boron and nitrogen atoms owing to their distinct valence states [4] [15] that there exists close to the edge in EELS some core hole screening effect induced by the primary swift electron that remains present near the core hole for a significant part of the time it takes for the core electron to make the transition from the core level to the exciton orbital.…”

Section: Sample Préparation and Expérimental Proceduresmentioning

confidence: 99%

“…6 (1995) In the last part of this work, we will focus our attention on the possibility of substituting boron or nitrogen by carbon atoms in c-BN. Indeed, due to the difference of electronic population between boron, carbon and nitrogen [4][5], the chemical bonds B-N are different in c-BN compared to C-C bonds in diamond. EELS appears as a possible technique for investigating this problem.…”

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confidence: 99%

An EELS and XAS Study of Cubic Boron Nitride Synthesized under High Pressure - High Temperature Conditions

Jaouen

Hug

Gonnet

et al. 1995

Microsc. Microanal. Microstruct.

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Abstract. 2014 Cubic Boron Nitride (c-BN) single-crystals have been synthesized under high pressure and high temperature conditions (HP -HT) using hexagonal Boron Nitride (h-BN) precursors. We have performed a study of both phases with electron (EELS) and X-ray (XAS) spectroscopy that are compared. The c-BN ELNES spectra at B-K and N-K edges are found to be consistent with the XANES (XAS) data, although the energy resolution achieved with X-rays is better than that obtained by EELS with a LaB6 filament. However, XAS is at a disadvantage by comparison with EELS owing to the presence of the N-K edge second order. Attempts were made to dope c-BN with carbon atoms. The examination of the EELS spectra reveals that the incorporation of carbon species in the BN material is always accompanied by the addition of oxygen. Several samples were analyzed both with selected area electron diffraction and energy loss spectroscopy. Most probed crystals containing C (and therefore O) were found to be hexagonal. These results emphasized that the range of existence of the cubic phase is very narrow around the binary composition.

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Calculation of ground-state and optical properties of boron nitrides in the hexagonal, cubic, and wurtzite structures

Cited by 459 publications

References 50 publications

Raman Spectroscopy and Time-Resolved Photoluminescence of BN and B_xC_yN_z Nanotubes

Raman Spectroscopy and Time-Resolved Photoluminescence of BN and B_xC_yN_z Nanotubes

Controlled charge trapping by molybdenum disulphide and graphene in ultrathin heterostructured memory devices

An EELS and XAS Study of Cubic Boron Nitride Synthesized under High Pressure - High Temperature Conditions

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Calculation of ground-state and optical properties of boron nitrides in the hexagonal, cubic, and wurtzite structures

Cited by 459 publications

References 50 publications

Raman Spectroscopy and Time-Resolved Photoluminescence of BN and BxCyNz Nanotubes

Raman Spectroscopy and Time-Resolved Photoluminescence of BN and BxCyNz Nanotubes

Controlled charge trapping by molybdenum disulphide and graphene in ultrathin heterostructured memory devices

An EELS and XAS Study of Cubic Boron Nitride Synthesized under High Pressure - High Temperature Conditions

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Product

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Raman Spectroscopy and Time-Resolved Photoluminescence of BN and B_xC_yN_z Nanotubes

Raman Spectroscopy and Time-Resolved Photoluminescence of BN and B_xC_yN_z Nanotubes