Plasma edge and band structure of cubic HgS

Zallen, Richard; Slade, M. L.

doi:10.1016/0038-1098(70)90622-8

Cited by 52 publications

(21 citation statements)

References 9 publications

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“…However, our QSGW and hybrid QSGW do not support the fundamental assumption in Ref. 18 of the α-Sn model for HgS. As mentioned in the Introduction, Dybko et al 17 concluded from their Schubnikov-de Haas experiments that E 0 in HgS should be negative, and they quoted the value -0.11 eV (inverted gap).…”

Section: IIcontrasting

confidence: 78%

Quasiparticle band structures ofβ-HgS, HgSe, and HgTe

et al. 2011

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The electronic structures of mercury chalcogenides in the zincblende structure have been calculated within the LDA, GW (G0W0, "one-shot") and Quasi-particle Self-consistent GW (QSGW) approximations, including spin-orbit (SO) coupling. The slight tendency to overestimation of band gaps by QSGW is avoided by using a hybrid scheme (20 % LDA and 80 % QSGW). The details of the GW bands near the top of the valence bands differ significantly from the predictions obtained by calculations within the LDA. The results obtained by G0W0 depend strongly on the starting wave functions and are thus quite different from those obtained from QSGW. Within QSGW, HgS is found to be a semiconductor, with a Γ6 s-like conduction-band minimum state above the valencetop Γ7 and Γ8 ("negative" SO splitting). HgSe and HgTe have "negative" gaps (inverted band structures), but for HgTe the Γ7 state is below Γ6 due to the large Te SO-splitting, in contrast to HgSe where Γ6 is below Γ7. There appears to be significant differences, in particular for HgSe and HgS, between the ordering of the band edge states as obtained from experiments and theory.

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Section: IIcontrasting

confidence: 78%

Quasiparticle band structures ofβ-HgS, HgSe, and HgTe

et al. 2011

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“…However, the inverse gap of −0.02 eV deviates somewhat from the experimentally found values of −0.15 eV, Ref. 41, and −0.11 eV, Ref. 42.…”

Section: F Ordering Of Statescontrasting

confidence: 66%

“…The HgS case is more difficult to assess. Experimentally, the gap of HgS is negative, 41,42 indicating that HgS has an inverted band structure. In contrast, Fleszar and Hanke 25 showed that in HgS the 6 state is above the 8 state within the GWA, which indicates that HgS has a "normal" band structure, except for the negative spin-orbit splitting, with the ordering 7 − 6 − 8 .…”

Section: F Ordering Of Statesmentioning

confidence: 99%

GWcalculations including spin-orbit coupling: Application to Hg chalcogenides

et al. 2011

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We present self-energy calculations for Hg chalcogenides (HgX, X = S, Se, and Te) with inverted band structures using an explicit spin-dependent formulation of the GW approximation. Spin-orbit coupling is fully taken into account in calculating the single-particle Green function G and the screened interaction W . We have found, apart from an upward shift of the occupied conductionlike 6 state by about 0.7 eV, an enhancement of spin-orbit splitting by about 0.1 eV, in good agreement with experiment. This renormalization originates mainly from spin-orbit induced changes in G rather than W , which is affected only little by spin-orbit coupling.

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“…Following results on a-Sn from Groves and Paul [1], the valence band maximum (VBM) was considered to be degenerate with the conduction band minimum (CBM) revealing G 8 symmetry. Early magnetotransport measurements measuring extremal cross sections of Fermi surfaces indeed found evidence for an inverted band structure in bulk HgSe [2][3][4] similar to those observed on HgTe [5] and b-HgS [6].…”

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confidence: 64%

HgSe: Metal or Semiconductor?

et al. 1997

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From magnetotransport measurements it is generally believed that Hg-VI compounds show zero gap semiconducting behavior. Applying combined angle-resolved photoemission and inverse photoemission spectroscopy on HgSe(001) c͑2 3 2͒, we observe a positive fundamental gap of about 0.42 eV and a surface related state close to the Fermi level above the conduction band minimum. Following the results of this direct determination of the k-resolved band structure, previous experiments favoring zero gap models of Hg-VI compounds need to be reinterpreted. [S0031-9007 (97)03026-3] PACS numbers: 73.20.At, 79.60.BmBecause of its technological interest for electro-optical devices, the Zn and Cd containing II-VI compound semiconductors have been studied intensively over the past decade. The group of Hg containing II-VI compounds, however, has been scarcely investigated since its electronic structures were reported to reveal zero or even negative fundamental gaps with inverted band structures. Following results on a-Sn from Groves and Paul [1], the valence band maximum (VBM) was considered to be degenerate with the conduction band minimum (CBM) revealing G 8 symmetry. Early magnetotransport measurements measuring extremal cross sections of Fermi surfaces indeed found evidence for an inverted band structure in bulk HgSe [2-4] similar to those observed on HgTe [5] and b-HgS [6].Semiempirical band structure calculations for HgSe [7-9] and HgTe [7,8,10] fitting those data, consequently, show an inverted band structure with valence band widths of the order of 3.3-4.4 eV for HgSe and 3.6-4.8 eV for HgTe, respectively. Photoemission results on HgSe and HgTe [11][12][13][14][15], in contrast, exhibit larger valence band widths of about 5.0-5.8 eV. The experimental position of the Fermi level with respect to the VBM is of particular interest in order to distinguish between metallic and semiconducting band structures. It has, however, only been reported for HgTe(110) by Yu et al. [11]. They determined the Fermi level to be 0.59 eV above the VBM. Infrared absorption data [16,17] show two absorption edges around 0.4 and 0.2 eV photon energy which are interpreted as transitions from the two upper valence bands near G 8 and G 6 into the G 8 conduction band, leading to a fundamental energy gap of approximately 20.2 eV.The experimental results, together with the semiempirical band structure calculations reported so far, do not give a consistent picture of the band structure around the Fermi level of Mercury containing II-VI compounds. This can be attributed to the type of experiments giving only indirect information on band structures (optical and magnetotransport measurements) and theories fitting these data.In this Letter we take HgSe as the prototype material of Hg-VI compounds which, in addition, may be compared to the better-known narrow gap semiconductor InAs having a similar lattice constant. We report on direct measurements of the k-resolved occupied and unoccupied band structure around the Fermi level of HgSe(001) c͑2 3 2͒ by means of comb...

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Plasma edge and band structure of cubic HgS

Cited by 52 publications

References 9 publications

Quasiparticle band structures ofβ-HgS, HgSe, and HgTe

Quasiparticle band structures ofβ-HgS, HgSe, and HgTe

GWcalculations including spin-orbit coupling: Application to Hg chalcogenides

HgSe: Metal or Semiconductor?

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