Photoelectron Spectroscopic Study of LiH

Ichikawa, K.; Suzuki, Naoki; Tsutsumi, Kenjirō

doi:10.1143/jpsj.50.3650

Cited by 23 publications

(22 citation statements)

References 16 publications

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“…The experimental observation of Ichikawa et al [90] can also be compared with the calculations of Kunz and Mickish [75]. The width of the valence band is about 6 eV from the XPS spectrum, while it is 13 eV in the calculation by Grosso and Parravicini [79].…”

Section: Theoretical Calculations and Discussionmentioning

confidence: 84%

“…However, the result of Kunz and Mickish [75] of 14 eV in the H F solutions is reduced to 7.2 eV when the electronic polaron model is used taking account of the correlation-relaxation effects due to polarization when a hole exists in the occupied state. The calculation of Kunz and Mickish [75] predicts the prominent peak in the density of states with a width of z 1 eV at 13 eV above the bottom of the conduction band, but the spectrum of Ichikawa et al [90] does not show such a peak in the corresponding energy region. The calculation of Grosso and Parravicini [79] seems to interpret the structures of the conduction band spectrum better than other calculations available up to 1982.…”

Section: Theoretical Calculations and Discussionmentioning

confidence: 94%

“…The Li K photoelectron yield spectrum of LiH measured by Maiste et al [81] is quite different in both peak energy and shape. It may be noted that Ichikawa et al [90] obtained the spectra with LiH cleaved in situ. The energy of the XPS spectrum of the valence band is measured from the Li 1s-level of LiH.…”

Section: Experimental Investigationsmentioning

confidence: 99%

“…This value is at variance with optical measurements [83], but is comparable to some of the theoretical calculations of Grosso and Parravicini [79] to be discussed in the next section. Liu [91] also studied the T a b l e 8 Some characteristic energies (in eV) of the LiH band structure (after [90] electronic structure in LiH using electron energy loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM). Table 8 lists some of the characteristic energies obtained by experiments [90].…”

Section: Experimental Investigationsmentioning

confidence: 99%

“…Liu [91] also studied the T a b l e 8 Some characteristic energies (in eV) of the LiH band structure (after [90] electronic structure in LiH using electron energy loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM). Table 8 lists some of the characteristic energies obtained by experiments [90]. We shall compare these and other observations with the theoretical calculations later on.…”

Section: Experimental Investigationsmentioning

confidence: 99%

See 4 more Smart Citations

Lighter Alkali Hydride and Deruteride. Electronic Properties of Pure Solids

Islam

1993

Physica Status Solidi (b)

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Section: Theoretical Calculations and Discussionmentioning

confidence: 84%

Section: Theoretical Calculations and Discussionmentioning

confidence: 94%

Section: Experimental Investigationsmentioning

confidence: 99%

Section: Experimental Investigationsmentioning

confidence: 99%

Section: Experimental Investigationsmentioning

confidence: 99%

See 3 more Smart Citations

Lighter Alkali Hydride and Deruteride. Electronic Properties of Pure Solids

Islam

1993

Physica Status Solidi (b)

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Local ab initio Schemes to Include Correlations in the Calculated Band Structure of Semiconductors and Insulators

Albrecht

Fulde

2002

phys. stat. sol. (b)

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71.15.Qe; 71.20.Ps Dedicated to Professor Dr. Roland Zimmermann on the occasion of his 60th birthday Two basic methods to assess correlation effects on an ab initio level for excited states in semiconductors and insulators are presented. The construction of an effective Hamiltonian and a Green's function approach are described. Both methods are based on a local description of the correlation effects, using Wannier-type Hartree-Fock orbitals as a starting point. Numerical efficiency is derived from the combination of the correlation methods with a general incremental scheme, which allows to focus on the important correlation contributions and arranges them in rapidly converging series. This scheme also gives a guideline to the economic use of suitable approximations for different contributions. The methods suggested lead to systematically improvable numerical results. Their feasibility is demonstrated in applications to the valence bands of Si and C and the band structures of the ionic crystals LiH and LiF. A good overall agreement with experiments is achieved.

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Dynamic Structure Factor and Dielectric Function of Valence Electrons in Lithium Hydride: An Inelastic X‐Ray Scattering Study at Finite Momentum Transfer

Paredes-Mellone

Koskelo

Ceppi

et al. 2020

Physica Status Solidi (b)

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The effects of electron–hole interaction in the dynamic structure factor Sfalse(q,ωfalse) and the complex dielectric function ϵfalse(q,ωfalse) of valence electrons in lithium hydride at finite momentum transfer q are investigated by means of inelastic X‐ray scattering (IXS) spectroscopy and ab initio theoretical methods. Calculations of Sfalse(q,ωfalse) and ϵfalse(q,ωfalse) are conducted within time‐dependent density functional theory (TDDFT) in adiabatic local density approximation (ALDA) and many‐body perturbation theory (MBPT) based on the Bethe–Salpeter equation (BSE). The findings reveal that for low q an explicit treatment of electron–hole interactions using BSE formalism slightly modifies the low‐energy structures in Sfalse(q,ωfalse) in comparison with ALDA results but affects strongly the macroscopic dielectric functions. A very good agreement between the experimental and theoretical Sfalse(q,ωfalse) and ϵfalse(q,ωfalse) in all the range of investigated q values is achieved for calculations based on BSE after taking into account the full excitonic Hamiltonian. The results demonstrate the potential of approximations based on the BSE to accurately describe the valence excitation spectra, including the near‐onset region, and the dielectric response in insulating systems, where excitonic effects are relevant.

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Photoelectron Spectroscopic Study of LiH

Cited by 23 publications

References 16 publications

Lighter Alkali Hydride and Deruteride. Electronic Properties of Pure Solids

Lighter Alkali Hydride and Deruteride. Electronic Properties of Pure Solids

Local ab initio Schemes to Include Correlations in the Calculated Band Structure of Semiconductors and Insulators

Dynamic Structure Factor and Dielectric Function of Valence Electrons in Lithium Hydride: An Inelastic X‐Ray Scattering Study at Finite Momentum Transfer

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