Spectroscopic investigation on the electronic structure of a 5d band insulator in proximity to ferroelectric instability: Comparison with and

Seo, Yuichi; Lee, Y.S.; Noh, Han-Jin

doi:10.1016/j.ssc.2009.09.048

Cited by 26 publications

(7 citation statements)

References 16 publications

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“…The recent advances in research efforts focused on perovskite oxides with general formula ABO 3 can be attributed to the availability of a wide variety of functionalities in these compounds, which are achievable in their pristine, nanoscopic, and defective forms. − Particularly, the alkaline-earth metal hafnate compounds, such as SrHfO 3 (SHO), have become the focus of research interest due to their practical utilization in various optical and electronic devices. , For instance, the high-permittivity, large band gap (6.1–6.5 eV), − and the epitaxial deposition of <1 nm thick layers on Si(100) has earned SHO an important candidature for future metal-oxide-semiconductor field-effect transistor technology. , Although SHO is optically inactive due to its large band gap, recent studies on nanoparticles and thin films of strontium hafnate have brought forth exciting functionalities of this material, which include visible photoluminescence and UV excitation due to vacancy defects and dopant, respectively.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO₃

et al. 2014

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Density functional theory based ab initio calculations are used to investigate the thermodynamic stability, defect formation energies, and electronic properties of isolated neutral and charged vacancies in SrHfO 3 under various chemical environments. We find that cation defects lead the system into a holedoped state, while oxygen vacancies yield defect levels near the conduction band minimum. The partial and full Schottky defect reaction energies and mixed electron hole conduction behavior of SrHfO 3 is also evaluated. Furthermore, various cases for neutral oxygen vacancy clustering are examined for tuning the electrical properties of oxygen deficient SrHfO 3 . We show that ordered oxygen vacancies in HfO layers are energetically favorable and induce metallicity in this system which emerges due to charge transfer between the vacancy site and the hafnium dangling bond.

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Section: Introductionmentioning

confidence: 99%

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO₃

et al. 2014

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“…3(a), the spectra for the emission at E em = 2.07 eV are composed of two peaks located near 3.5 eV and 4.2 eV, in addition to the abrupt increase above 5 eV. The strong absorption above 5 eV is attributed to the charge transfer excitation from the O 2p to the Hf 5d band, which has been reported to be centered at 7.5 eV [13]. As shown in Fig.…”

Section: Photoluminescence Excitation Spectramentioning

confidence: 77%

Study on visible emission of Cu-ion-doped perovskite hafnate in view of excitation energy dependence

Lee¹,

Lee²,

Noh³

2015

Progress in Superconductivity and Cryogenics

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We studied on the visible emission of Cu-ion-doped perovskite hafnate SrHfO 3 (SHO:Cu) with the photo-excitation energy dependence. The polycrystalline SHO:Cu samples were newly synthesized in the solid state reaction method. From the X-ray diffraction measurement it was found that the crystalline structure of SHO:Cu is nearly identical to that of undoped SrHfO 3 . Interestingly, the photoluminescence excitation (PLE) spectra change significantly with the emission energy, which is linked to the strong dependence of the visible emission on the photo-excitation energy. This unusual emission behavior is likely to be associated with the mixed valence states of the doped Cu ions, which were revealed by X-ray photoelectron spectroscopy. We compared our finding of tunable visible emission in the SHO:Cu compounds with the cases of similar materials, SrTiO 3 and SrZrO 3 with Cu-ion-doping.

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“…The leading absorption peak is located at around 533.4 eV. For SrHfO 3 , the first absorption peak due to Hf 5d states appears at $533.4 eV and is followed by a weak feature at around 536 eV associated with Sr 4d states [25]. For BaHfO 3 the leading absorption peak appears also at 533.4 eV.…”

Section: Methodsmentioning

confidence: 95%

Characterization of group II hafnates and zirconates for metal–insulator–metal capacitors

Łupina

Seifarth

Dudek

et al. 2010

Physica Status Solidi (b)

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Spectroscopic investigation on the electronic structure of a 5d band insulator in proximity to ferroelectric instability: Comparison with and

Cited by 26 publications

References 16 publications

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO₃

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO₃

Study on visible emission of Cu-ion-doped perovskite hafnate in view of excitation energy dependence

Characterization of group II hafnates and zirconates for metal–insulator–metal capacitors

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Spectroscopic investigation on the electronic structure of a 5d band insulator in proximity to ferroelectric instability: Comparison with and

Cited by 26 publications

References 16 publications

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO3

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO3

Study on visible emission of Cu-ion-doped perovskite hafnate in view of excitation energy dependence

Characterization of group II hafnates and zirconates for metal–insulator–metal capacitors

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Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO₃

Thermodynamic Stability and Vacancy Defect Formation Energies in SrHfO₃