X-ray photoelectron spectra of the alkali azides

153LiN,, a-, P-NaN, band structure is determined by means of pseudopotential technique on the basis of localized Slater orbitals decomposed along plane waves. The nature of the complex bands and the effect of phase transition on the electron energy spectrum in NaN, are discussed. Density of states data calculated by means of energy band interpolation by Fourier symmetrized series are compared with those on photoelectron spectra of azide salts. The peculiarities of both optical and photoemission NaN, spectra are interpreted in terms of band-band electron transitions. MeTOAOM nCeBAOIIOTeHqAaJIa B 6asuce pa3JIOXeHHbIX IIO IIJIOCKAM BOJIHaM JIOKaJIU30BaHHbIX CJI3fi-TepOBCKAX op6u~aneii npOBeAeH0 BbIYACJIeHUe 30HHOfi CTPYKTYPbI LiN,, CL-, P-NaN,. 06CyXAaeTCX HaTpAX. BbI' IACJIeHHaX IIO MeTony AHTepIIOJIApOBaHAX 3HePTeTASeCKAX 3 0 H CAMMeTPM30BaHHbIMA PXAaMA Qypbe IIJIOTHOCTb COCTOXHAfi CpaBHABaeTCR C AMeIO~AMUCX B JIUTepaType @OT03JIeKTPOH-HbIMU CIIeKTpaMA a3UAHbIX COJIefi. OCO6CHHOCTA OIITAYBCKUX U I$OT03MACCAOHHbIX CIIeKTpOB a3AAa HaTPAX AHTepIIpeTApyIOTCX B TepMUHaX 30Ha-30HHbIX 3JIeKTPOHHbIX IIepeXOnOB. npupona C B X~O K SOH A BnmHue @a30~0ro nepexona Ha 3~e p r e~~~e c~~f i cneKTp ~J I~K T P O H O B B a s u~e ') Krasnaya 6, SU-650 043 Kemerovo, USSR.

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“…5. The PES zero energy [27] coincides with the upper occupied state of a band spectrum (Fig. 2 to 4) and the upper occupied N; orbital lng.…”

Section: The Photoelectron Spectrumsupporting

confidence: 66%

“…The photoelectron spectrum (PES) for LiN, [27], the calculated densities of states of lithium and sodium azides and N; molecular orbital energies (MO) [28] are given in Fig. 5.…”

Section: The Photoelectron Spectrummentioning

confidence: 99%

Band Structure of Sodium and Lithium Azides

Zhuravlev

Поплавной

1990

Physica Status Solidi (b)

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“…A detailed investigation shows two peaks at around 55.4 and 399.1 eV, as illustrated in the inset of Fig. 1(a), which can be attributed to the 1s peak of Li and N. The peak at around 399.1 eV is very close to the Li-N bonds in lithium azide (399.3 eV) [19,20]; thus, it can be assigned to the N 1s of Li-N bonds in our case. The Li 1s peak at 55.4 eV lies between the binding energy of Li-O (55.6 eV) [21] and Li-N bonds (55.2 eV) [19]; thus, the Li may bond with O or N in the MgZnO films.…”

mentioning

confidence: 88%

p-type doping of MgZnO films and their applications in optoelectronic devices

Shan

Liu

et al. 2015

Opt. Lett.

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A lithium and nitrogen codoping method has been employed to prepare p-type MgZnO films, and p-MgZnO/i-ZnO/n-ZnO structured light-emitting devices (LEDs) and photodetectors have been fabricated. The LEDs can work continuously for about 97 h under the injection of a 20 mA continuous current, which is the best value ever reported for ZnO-based LEDs. The performance of the photodetectors degrades little after several running cycles. The above results reveal the applicability of the p-MgZnO films in optoelectronic devices.

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“…Only the Li' 1s level is moved up by the lattice environment. The experimental valance-region spectrum [22] is reproduced in Figure 3 from Ref. 2.…”

Section: B Band Structure and Density Of Statesmentioning

confidence: 99%

Band structure and electronic properties of lithium azide (LiN₃)

Seel

Kunz

1991

Int J of Quantum Chemistry

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Ab initio Hartree-Fock band structure and molecular calculations have been performed to study the electronic structure of LiN3 in a monoclinic C 2/m crystal structure. The total energy, band structure, density of states, and charge densities are computed. The calculated lattice energy (energy to separate the ions infinitely apart) of 8.6 eV agrees very well with 8.45 eV deduced from Madelung and London polarizability energies. The calculated split of the N 1s core bands of 5.0 eV compares favorably with the experimental X-ray photoelectron value of 4.4 eV. This good agreement is not contributed to crystalline environment effects as proposed in earlier m studies of N; where the best values obtained were 5.1, 5.8, and 6.3 eV, but to the quality of the nitrogen core basis set. The calculated valence density of states supports one of two competing interpretations that peak 111 observed in the X-ray photoelectron spectrum arises from contaminations or other extrinsic states.

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X-ray photoelectron spectra of the alkali azides

Cited by 71 publications

References 8 publications

Band Structure of Sodium and Lithium Azides

Band Structure of Sodium and Lithium Azides

p-type doping of MgZnO films and their applications in optoelectronic devices

Band structure and electronic properties of lithium azide (LiN₃)

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X-ray photoelectron spectra of the alkali azides

Cited by 71 publications

References 8 publications

Band Structure of Sodium and Lithium Azides

Band Structure of Sodium and Lithium Azides

p-type doping of MgZnO films and their applications in optoelectronic devices

Band structure and electronic properties of lithium azide (LiN3)

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Band structure and electronic properties of lithium azide (LiN₃)