On the crystalline structure, stoichiometry and band gap of InN thin films

Yu, K. M.; Liliental‐Weber, Z.; Walukiewicz, W.; Shan, W.; Ager, Joel W.; Li, S. X.; Jones, R. E.; Häller, E. E.; Lu, Hai; Schaff, William J.

doi:10.1063/1.1861513

Cited by 108 publications

(53 citation statements)

References 18 publications

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“…Thus, a reasonably good agreement with low-temperature experimental data was obtained: E g (AlN) = 6.09 eV 52 E g (GaN) = 3.47 eV 53,54 and E g (InN) = 0.70 eV. 55 …”

Section: Calculation Methods -Theoreticalsupporting

confidence: 62%

Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures

et al. 2017

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Spontaneous and piezoelectric polarization in the nitrides is analyzed. The slab model was designed and proved to be appropriate to obtain the spontaneous polarization in AlN, GaN and InN. The spontaneous polarization and polarization related electric fields in AlN, GaN and InN were determined using DFT slab calculations. The procedure generates single value of spontaneous polarization in the nitrides. It was shown that Berry phase polarization may be applied to determination of spontaneous polarization by appropriate addition of polarization induced electric fields. The electric fields obtained from slab model are consistent with the Berry phase results of Bernardini et al. The obtained spontaneous polarization values are: 8.69*10-3 C/m2, 1.88*10-3 C/m2, and 1.96*10-3 C/m2 for AlN, GaN and InN respectively. The related Berry phase polarization values are 8.69*10-2 C/m2, 1.92*10-2 C/m2, and 2.86*10-2 C/m2, for these three compounds, respectively. The GaN/AlN multiquantum wells (MQWs) were simulated using ab intio calculations. The obtained electric fields are in good agreement with those derived from bulk polarization values. GaN/AlN MQWs structures, obtained by MBE growth were characterized by TEM and X-ray measurements. Time dependent photoluminescence measurements were used to determine optical transition energies in these structures. The PL obtained energies are in good agreement with ab initio data confirming overall agreement between theoretical and experimental data.

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“…Thus, a reasonably good agreement with low-temperature experimental data was obtained: E g (AlN) = 6.09 eV 52 E g (GaN) = 3.47 eV 53,54 and E g (InN) = 0.70 eV. 55 …”

Section: Calculation Methods -Theoreticalsupporting

confidence: 62%

Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures

et al. 2017

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“…The HSE03 + 0 0 G W gaps approach recent measured values of 0.70 ± 0.05 eV for wurtzite [81] and 0.6 eV for zinc-blende [53,82] InN. The CBM at Γ is much lower in energy than the conduction-band edges at other points in k-space.…”

Section: γ (T ) γ (A )supporting

confidence: 52%

Ab‐initio theory of semiconductor band structures: New developments and progress

Bechstedt

Fuchs

Kresse

2009

Physica Status Solidi (b)

127

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Organic fluorescent molecules are infiltrated in the channels of zeolite L nanocrystals, thus creating organic–inorganic fluorescent nanoparticles. Combined with dielectric matrices, these fluorescent nanopigments open the way to the realization of novel optical devices. In this paper, the optical measurement of the quantum yield of fluorescent zeolites by means of a precise and reliable diffuse reflectance technique is presented. Several possible factors that may affect the fluorescence quantum yield are also investigated.

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“…Fe O + -cluster by 18 O causes a shift of 365 or 222 µeV depending on the position within the tetrahedron. The isotope effect can be explained sufficiently by the contribution of mass-dependent local vibrational modes to the total energy of the involved states.…”

Section: Isotope Effect Of the (mentioning

confidence: 99%

“…For recently established values of the band gap of InN, see Refs. [17,18] and references therein. The CT values were taken from Table 1.…”

Section: Significance Of Charge Transfer Levelsmentioning

confidence: 99%

Fe in III–V and II–VI semiconductors

Malguth

Hoffmann

Phillips

2008

Physica Status Solidi (b)

115

110

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Many theoretical and experimental studies deal with the realization of room‐temperature ferromagnetism in dilute magnetic semiconductors (DMS). However, a detailed quantitative understanding of the electronic properties of transition metal doped semiconductors has often been neglected. This article points out which issues concerning electronic states and charge transfers need to be considered using Fe as an example. Methods to address these issues are outlined, and a wealth of data on the electronic properties of Fe doped III–V and II–VI compound semiconductors that have been obtained over a few decades is reviewed thoroughly. The review is complemented by new results on the effective‐mass‐like state consisting of a hole bound to Fe2+ forming a shallow acceptor state.The positions of established Fe3+/2+ and Fe2+/1+ charge transfer levels are summarized and predictions on the positions of further charge transfer levels are made based on the internal reference rule. The Fe3+/4+ level has not been identified unambiguously in any of the studied materials. Detailed term schemes of the observed charge states in tetrahedral and trigonal crystal field symmetry are presented including hyperfine structure, isotope effects and Jahn–Teller effect. Particularly, the radiative transitions Fe3+(4T1 → 6A1) and Fe2+(5E → 5T2) are analyzed in great detail.An effective‐mass‐like state [Fe2+, h] consisting of a hole bound to Fe2+ is of great significance for a potential realization of spin‐coupling in a DMS. New insights on this shallow acceptor state could be obtained by means of stress dependent and temperature dependent absorption experiments in the mK range. The binding energy and effective Bohr radius were determined for GaN, GaP, InP and GaAs and a weak exchange interaction between the hole and the Fe2+ center was detected.With regard to the Fe3+ ground state, 6A1, in GaP and InP, the hyperfine structure level Γ8 was found to be above the Γ8 level.All results are discussed with respect to a potential realization of a ferromagnetic spin‐coupling in DMSs. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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On the crystalline structure, stoichiometry and band gap of InN thin films

Cited by 108 publications

References 18 publications

Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures

Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures

Ab‐initio theory of semiconductor band structures: New developments and progress

Fe in III–V and II–VI semiconductors

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