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arxiv: 2606.28776 · v1 · pith:U4DQ2MF4new · submitted 2026-06-27 · 🪐 quant-ph · cond-mat.mtrl-sci

Properties of 2D Electron or Hole Gases at Tailored s-Si/SiGe Interfaces: A First-Principles Investigation

Garima Ahuja , Farha S , Tanuja Shridhar Joshi , Anil Shaji , Shobhana Narasimhan This is my paper

Pith reviewed 2026-06-30 09:40 UTC · model grok-4.3

classification 🪐 quant-ph cond-mat.mtrl-sci
keywords s-Si/SiGe interfaces2DEG2DHGband alignmenthybrid DFTeffective massesspin qubitsquantum computing
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0 comments X

The pith

For Ge concentrations below 0.25 at s-Si/SiGe interfaces, conduction bands show no offset so 2DEG cannot form while 2DHG can.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

Hybrid density functional theory calculations map band alignments across s-Si/SiGe interfaces as a function of Ge concentration. Below x = 0.25 the conduction bands line up with zero offset, so electrons spread out instead of forming a confined 2DEG, yet holes still form a 2DHG. Above x = 0.25 both carrier types can be confined. The resulting states sit within two or three atomic layers of the interface, show strongly anisotropic effective masses that match measured values, and can be selected by doping or gating. The findings directly affect design choices for silicon-based spin qubits.

Core claim

For small Ge concentrations x < 0.25, we find a novel type of band alignment with no offset in the conduction bands, implying that a 2DEG cannot be formed, though a 2DHG can. In contrast, for x > 0.25 the band alignment suggests that either a 2DEG or 2DHG can be formed. The electronic band structure features two nearly degenerate 2DEG states at the bottom of the conduction bands, and two 2DHG states at the top of the valence band. These states can be accessed by appropriate doping and gating. Charge density plots of these states show that they feature carriers confined to the near vicinity (2--3 atomic layers) of the interface. Calculated effective masses are anisotropic, being markedly so f

What carries the argument

Hybrid DFT band-structure calculations that determine conduction- and valence-band offsets and effective masses at the s-Si/SiGe interface.

If this is right

  • Appropriate doping and gating can select either the 2DEG or 2DHG states.
  • Carriers remain confined within two to three atomic layers of the interface.
  • Anisotropic masses, especially for holes, enable formation of a one-dimensional carrier gas.
  • Low-Ge interfaces are unsuitable for 2DEG devices but remain viable for 2DHG-based structures.
  • Results apply to s-Si/SiGe heterostructures used in semiconducting spin qubits.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • Device layouts could deliberately use x < 0.25 layers when only hole confinement is wanted.
  • The same calculation approach could be applied to other Si-based heterostructures to predict confinement thresholds.
  • Spin-qubit architectures might exploit the low-Ge regime to suppress unwanted electron channels while retaining hole channels.

Load-bearing premise

The hybrid DFT calculations give accurate band alignments and effective masses without large errors from functional choice or interface structural models.

What would settle it

Direct measurement of a nonzero conduction-band offset at an s-Si/SiGe interface with Ge fraction x = 0.20 would falsify the predicted absence of offset below x = 0.25.

Figures

Figures reproduced from arXiv: 2606.28776 by Anil Shaji, Farha S, Garima Ahuja, Shobhana Narasimhan, Tanuja Shridhar Joshi.

Figure 1
Figure 1. Figure 1: FIG. 1. Possible types of band alignment between two semi [PITH_FULL_IMAGE:figures/full_fig_p002_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. Effect of variation of [PITH_FULL_IMAGE:figures/full_fig_p003_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: FIG. 3. HSE06 band structure and charge densities of 2DHG states for B-doped s-Si/Si [PITH_FULL_IMAGE:figures/full_fig_p005_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4. HSE06 band structure and charge densities of 2DEG states for P-doped s-Si/Si [PITH_FULL_IMAGE:figures/full_fig_p006_4.png] view at source ↗
read the original abstract

We have performed first-principles hybrid density functional theory calculations to study the formation and properties of two-dimensional electron or hole gases (2DEG or 2DHG) at s-Si/SiGe interfaces. For small Ge concentrations $x < 0.25$, we find a novel type of band alignment with no offset in the conduction bands, implying that a 2DEG cannot be formed, though a 2DHG can. In contrast, for $x > 0.25$ the band alignment suggests that either a 2DEG or 2DHG can be formed. The electronic band structure features two nearly degenerate 2DEG states at the bottom of the conduction bands, and two 2DHG states at the top of the valence band. These states can be accessed by appropriate doping and gating. Charge density plots of these states show that they feature carriers confined to the near vicinity (2--3 atomic layers) of the interface. Calculated effective masses are anisotropic, being markedly so for the 2DHG states, and in excellent agreement with experiment. This property can be exploited to create a 1D carrier gas. Our results are especially important for s-Si/SiGe-based semiconducting spin qubits for quantum computing applications.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 2 minor

Summary. The manuscript reports hybrid DFT calculations on strained Si/SiGe interfaces, claiming a novel band alignment with zero conduction-band offset for Ge concentration x < 0.25 (preventing 2DEG formation while allowing 2DHG), switching to type-II alignment permitting both for x > 0.25. It describes two nearly degenerate 2DEG and 2DHG states confined to 2-3 atomic layers at the interface, anisotropic effective masses in excellent experimental agreement, and potential for 1D carrier gases or spin-qubit applications.

Significance. If the zero-offset result is robust, the work would be significant for interface engineering in SiGe heterostructures, offering a mechanism to selectively enable 2DHG without 2DEG and informing qubit design. The reported effective-mass agreement with experiment is a positive feature, though it does not directly validate absolute band-edge positions.

major comments (2)
  1. [Abstract / Results] Abstract and results section: the central claim of exactly zero conduction-band offset for x < 0.25 (implying no 2DEG) is load-bearing but rests on hybrid-DFT interface alignments whose absolute accuracy is not benchmarked against GW calculations or direct experimental band-offset measurements; hybrid functionals can retain 0.1-0.3 eV errors in differential band positions even when gaps are reasonable.
  2. [Abstract] Abstract: the reported excellent agreement of effective masses with experiment does not constrain the conduction-band offset, as effective masses are insensitive to a rigid shift of the entire conduction band and therefore cannot rule out a small finite offset that would restore 2DEG formation.
minor comments (2)
  1. [Methods] Clarify the precise definition of the interface model (strain state, Ge distribution, supercell size) used to extract the band offsets, as small changes could affect the reported zero value.
  2. [Results] Provide error bars or convergence tests for the band offsets as a function of x to demonstrate that the transition at x = 0.25 is resolved beyond numerical uncertainty.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for their careful reading and constructive comments on our manuscript. We provide point-by-point responses to the major comments below.

read point-by-point responses

  1. Referee: [Abstract / Results] Abstract and results section: the central claim of exactly zero conduction-band offset for x < 0.25 (implying no 2DEG) is load-bearing but rests on hybrid-DFT interface alignments whose absolute accuracy is not benchmarked against GW calculations or direct experimental band-offset measurements; hybrid functionals can retain 0.1-0.3 eV errors in differential band positions even when gaps are reasonable.

    Authors: We acknowledge that hybrid DFT can carry uncertainties of 0.1-0.3 eV in band offsets. Our calculations employ the HSE06 functional, which has been shown in the literature to yield reliable alignments for Si/SiGe. We will add an explicit discussion of functional accuracy, cite relevant benchmarks, and note the possible error range in the revised manuscript. revision: partial

  2. Referee: [Abstract] Abstract: the reported excellent agreement of effective masses with experiment does not constrain the conduction-band offset, as effective masses are insensitive to a rigid shift of the entire conduction band and therefore cannot rule out a small finite offset that would restore 2DEG formation.

    Authors: We agree that effective-mass agreement validates band curvatures but does not independently constrain absolute offsets. The zero conduction-band offset is obtained directly from the calculated band-edge positions in the interface supercells. We will revise the abstract and text to clarify this distinction. revision: yes

Circularity Check

0 steps flagged

No significant circularity; standard first-principles DFT predictions

full rationale

The paper reports direct outputs from hybrid DFT calculations on interface supercells, including band alignments, effective masses, and charge densities. These are computed quantities, not fitted parameters renamed as predictions, nor derived via self-citation chains or self-definitional loops. The central claim of zero conduction-band offset for x<0.25 follows from the eigenvalue differences in the calculated band structures; no equation or step reduces to its own input by construction. Effective-mass agreement with experiment is noted but does not constrain the offset result. This is a self-contained computational study whose derivation chain does not exhibit the enumerated circularity patterns.

Axiom & Free-Parameter Ledger

1 free parameters · 2 axioms · 0 invented entities

Assessment limited to abstract; full paper likely specifies more details on parameters and assumptions.

free parameters (1)
  • hybrid mixing parameter
    Common in hybrid DFT; value not specified in abstract but affects band gap predictions.
axioms (2)
  • domain assumption Periodic boundary conditions and supercell models accurately represent the s-Si/SiGe interface
    Standard assumption in interface calculations.
  • domain assumption The chosen hybrid functional correctly describes the electronic structure of Si and SiGe
    Core to the method but can have known limitations in band alignments.

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Reference graph

Works this paper leans on

100 extracted references · 68 canonical work pages · 1 internal anchor

  1. [1]

    author author P. Y. \ Yu \ and\ author M. Cardona ,\ @noop title Fundamentals of Semiconductors \ ( publisher Springer Berlin, Heidelberg ,\ year 2010 ) NoStop

    2010

  2. [3]

    uhlberger ,\ and\ author F. Sch\

    author author K. Lai , author W. Pan , author D. C. \ Tsui , author S. Lyon , author M. M\"uhlberger ,\ and\ author F. Sch\"affler ,\ title title Two-flux composite fermion series of the fractional quantum Hall states in strained Si ,\ https://doi.org/https://doi.org/10.1103/PhysRevLett.93.156805 journal journal Physical Review Letters \ volume 93 ,\ page...

    work page doi:10.1103/physrevlett.93.156805 2004

  3. [6]

    author author M. L. \ Lee , author E. A. \ Fitzgerald , author M. T. \ Bulsara , author M. T. \ Currie ,\ and\ author A. Lochtefeld ,\ title title Strained Si, SiGe, and Ge channels for high-mobility metal-oxide-semiconductor field-effect transistors ,\ https://doi.org/10.1063/1.1819976 journal journal Journal of Applied Physics \ volume 97 ,\ pages 01110...

    work page doi:10.1063/1.1819976 2004

  4. [7]

    Loss \ and\ author D

    author author D. Loss \ and\ author D. P. \ DiVincenzo ,\ title title Quantum computation with quantum dots ,\ https://doi.org/https://doi.org/10.1103/PhysRevA.57.120 journal journal Physical Review A \ volume 57 ,\ pages 120 ( year 1998 ) NoStop

    work page doi:10.1103/physreva.57.120 1998

  5. [9]

    author author Members of the HRL Quantum Team and Collaborators ,\ https://arxiv.org/abs/2604.16216 title A digitally controlled silicon quantum processing unit ( year 2026 ),\ https://arxiv.org/abs/2604.16216 arXiv:2604.16216 [quant-ph] NoStop

    work page internal anchor Pith review Pith/arXiv arXiv 2026

  6. [10]

    author author A. J. \ Weinstein , author M. D. \ Reed , author A. M. \ Jones , author R. W. \ Andrews , author D. Barnes , author J. Z. \ Blumoff , author L. E. \ Euliss , author K. Eng , author B. H. \ Fong , author S. D. \ Ha , author D. R. \ Hulbert , author C. A. C. \ Jackson , author M. Jura , author T. E. \ Keating , author J. Kerckhoff , author A. ...

    work page doi:10.1038/s41586-023-05777-3 2023

  7. [11]

    author author R. W. \ Andrews , author C. Jones , author M. D. \ Reed , author A. M. \ Jones , author S. D. \ Ha , author M. P. \ Jura , author J. Kerckhoff , author M. Levendorf , author S. Meenehan , author S. T. \ Merkel , author A. Smith , author B. Sun , author A. J. \ Weinstein , author M. T. \ Rakher , author T. D. \ Ladd ,\ and\ author M. G. \ Bor...

    work page doi:10.1038/s41565-019-0500-4 2019

  8. [20]

    Ambacher , author J

    author author O. Ambacher , author J. Smart , author J. R. \ Shealy , author N. G. \ Weimann , author K. Chu , author M. Murphy , author W. J. \ Schaff , author L. F. \ Eastman , author R. Dimitrov , author L. Wittmer , author M. Stutzmann , author W. Rieger ,\ and\ author J. Hilsenbeck ,\ title title Two-dimensional electron gases induced by spontaneous ...

    work page doi:10.1063/1.369664 1999

  9. [30]

    Song , author W

    author author S. Song , author W. Pan , author D. C. \ Tsui , author Y. H. \ Xie ,\ and\ author D. Monroe ,\ title title Energy relaxation of two-dimensional carriers in strained Ge / Si _ 0.4 Ge _ 0.6 and Si / Si _ 0.7 Ge _ 0.3 quantum wells: Evidence for two-dimensional acoustic phonons ,\ https://doi.org/10.1063/1.119190 journal journal Applied Physics...

    work page doi:10.1063/1.119190 1997

  10. [32]

    Kittel ,\ @noop title Introduction to Solid State Physics (8th ed.) \ ( publisher John Wiley & Sons ,\ year 2004 ) NoStop

    author author C. Kittel ,\ @noop title Introduction to Solid State Physics (8th ed.) \ ( publisher John Wiley & Sons ,\ year 2004 ) NoStop

    2004

  11. [33]

    Hinuma , author A

    author author Y. Hinuma , author A. Gr\"uneis , author G. Kresse ,\ and\ author F. Oba ,\ title title Band alignment of semiconductors from density-functional theory and many-body perturbation theory ,\ https://doi.org/10.1103/PhysRevB.90.155405 journal journal Physical Review B \ volume 90 ,\ pages 155405 ( year 2014 ) NoStop

    work page doi:10.1103/physrevb.90.155405 2014

  12. [40]

    author author M. M. \ Rieger \ and\ author P. Vogl ,\ title title Electronic-band parameters in strained Si _ 1-x Ge _ x alloys on Si _ 1-y Ge _ y substrates ,\ https://doi.org/https://doi.org/10.1103/PhysRevB.48.14276 journal journal Physical Review B \ volume 48 ,\ pages 14276 ( year 1993 ) NoStop

    work page doi:10.1103/physrevb.48.14276 1993

  13. [42]

    People \ and\ author J

    author author R. People \ and\ author J. C. \ Bean ,\ title title Band alignments of coherently strained Ge _ x Si _ 1-x / Si heterostructures on 〈001〉 Ge _ y Si _ 1-y substrates ,\ https://doi.org/https://doi.org/10.1063/1.96499 journal journal Applied Physics Letters \ volume 48 ,\ pages 538 ( year 1986 ) NoStop

    work page doi:10.1063/1.96499 1986

  14. [43]

    Brivio , author A

    author author F. Brivio , author A. M. \ Rappe , author L. Kronik ,\ and\ author D. Ritter ,\ title title Two-dimensional carrier gas at a polar interface without surface band gap states: A first principles perspective ,\ https://doi.org/10.1063/5.0149212 journal journal Applied Physics Letters \ volume 123 ,\ pages 022104 ( year 2023 ) NoStop

    work page doi:10.1063/5.0149212 2023

  15. [46]

    author author Y. C. \ Tsai \ and\ author C. Bayram ,\ title title Band alignments of ternary wurtzite and zincblende III - Nitrides investigated by hybrid density functional theory ,\ https://doi.org/10.1021/acsomega.9b03353 journal journal ACS Omega \ volume 5 ,\ pages 3917 ( year 2020 ) NoStop

    work page doi:10.1021/acsomega.9b03353 2020

  16. [52]

    Gershoni , author J

    author author D. Gershoni , author J. S. \ Weiner , author S. N. G. \ Chu , author G. A. \ Baraff , author J. M. \ Vandenberg , author L. N. \ Pfeiffer , author K. West , author R. A. \ Logan ,\ and\ author T. Tanbun-Ek ,\ title title Optical transitions in quantum wires with strain-induced lateral confinement ,\ https://doi.org/10.1103/PhysRevLett.65.163...

    work page doi:10.1103/physrevlett.65.1631 1990

  17. [59]

    author author O. Madelung ,\ https://doi.org/10.1007/978-3-642-18865-7 title Semiconductors: Data Handbook ,\ edition 3rd \ ed.\ ( publisher Springer ,\ address Berlin, Heidelberg ,\ year 2004 )\ pp.\ pages XIV, 691 NoStop

    work page doi:10.1007/978-3-642-18865-7 2004

  18. [60]

    Bellaiche \ and\ author D

    author author L. Bellaiche \ and\ author D. Vanderbilt ,\ title title Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites ,\ https://doi.org/https://doi.org/10.1103/PhysRevB.61.7877 journal journal Physical Review B \ volume 61 ,\ pages 7877 ( year 2000 ) NoStop

    work page doi:10.1103/physrevb.61.7877 2000

  19. [64]

    Langueur , author K

    author author H. Langueur , author K. Kassali ,\ and\ author N. Lebga ,\ title title Density functional study of structural, mechanic, thermodynamic and dynamic properties of SiGe alloys ,\ https://doi.org/10.1166/jctn.2013.2662 journal journal Journal of Computational and Theoretical Nanoscience \ volume 10 ,\ pages 86 ( year 2013 ) NoStop

    work page doi:10.1166/jctn.2013.2662 2013

  20. [66]

    Charles Kittel , title =

  21. [67]

    Yu, Peter Y and Cardona, Manuel , title =

  22. [68]

    Millman, Jacob and Halkias, Christos and Terman, F. E. , title =

  23. [69]

    2004 , pages =

    Madelung, Otfried , title =. 2004 , pages =

    2004

  24. [70]

    and Brugger, H

    Abstreiter, G. and Brugger, H. and Wolf, T. and Jorke, H. and Herzog, H. J. , journal =. Strain-Induced Two-Dimensional Electron Gas in Selectively Doped. 1985 , month =. doi:10.1103/PhysRevLett.54.2441 , url =

    work page doi:10.1103/physrevlett.54.2441 1985

  25. [71]

    Solid-State Electronics , volume =

    Experiments on. Solid-State Electronics , volume =. 1962 , issn =. doi:https://doi.org/10.1016/0038-1101(62)90115-6 , author =

    work page doi:10.1016/0038-1101(62)90115-6 1962

  26. [72]

    and Bean, J

    People, R. and Bean, J. C. and Lang, D. V. and Sergent, A. M. and St. Modulation doping in. Applied Physics Letters , month =. 1984 , bdsk-url-1 =. doi:10.1063/1.95074 , issn =

    work page doi:10.1063/1.95074 1984

  27. [73]

    and Fitzgerald, Eugene A

    Lee, Minjoo L. and Fitzgerald, Eugene A. and Bulsara, Mayank T. and Currie, Matthew T. and Lochtefeld, Anthony , title =. Journal of Applied Physics , volume =. 2004 , month =

    2004

  28. [74]

    and Kuemmeth, Ferdinand , date =

    Chatterjee, Anasua and Stevenson, Paul and De Franceschi, Silvano and Morello, Andrea and de Leon, Nathalie P. and Kuemmeth, Ferdinand , date =. Semiconductor qubits in practice , url =. Nature Reviews Physics , number =. 2021 , bdsk-url-1 =. doi:10.1038/s42254-021-00283-9 , id =

    work page doi:10.1038/s42254-021-00283-9 2021

  29. [75]

    Materials for Quantum Technology , abstract =

    Fang, Yinan and Philippopoulos, Pericles and Culcer, Dimitrie and Coish, W A and Chesi, Stefano , title =. Materials for Quantum Technology , abstract =. 2023 , month =. doi:10.1088/2633-4356/acb87e , url =

    work page doi:10.1088/2633-4356/acb87e 2023

  30. [76]

    Hendrickx, N. W. and Lawrie, W. I. L. and Petit, L. and Sammak, A. and Scappucci, G. and Veldhorst, M. , date =. A single-hole spin qubit , url =. Nature Communications , number =. 2020 , bdsk-url-1 =. doi:10.1038/s41467-020-17211-7 , id =

    work page doi:10.1038/s41467-020-17211-7 2020

  31. [77]

    Whall, T. E. and Plews, A. D. and Mattey, N. L. and Phillips, P. J. and Ekenberg, U. , title =. Applied Physics Letters , volume =. 1995 , month =. doi:10.1063/1.113501 , url =

    work page doi:10.1063/1.113501 1995

  32. [78]

    and Reichmann, Felix and Adnadane, Meriem and Wen, Wei-Chen and Yamamoto, Yuji and Bärwolf, Florian and Schubert, Markus Andreas and Lisker, Marco , title =

    Fidorra, Fabian and Mistroni, Alberto and Hnida-Gut, Katarzyna E. and Reichmann, Felix and Adnadane, Meriem and Wen, Wei-Chen and Yamamoto, Yuji and Bärwolf, Florian and Schubert, Markus Andreas and Lisker, Marco , title =. Physica Status Solidi (a) , volume =. doi:https://doi.org/10.1002/pssa.202501036 , url =

    work page doi:10.1002/pssa.202501036

  33. [79]

    Mills and Charles R

    Adam R. Mills and Charles R. Guinn and Michael J. Gullans and Anthony J. Sigillito and Mayer M. Feldman and Erik Nielsen and Jason R. Petta , title =. Science Advances , volume =

  34. [80]

    Silicon quantum electronics , author =. Rev. Mod. Physical , volume =. 2013 , month =

    2013

  35. [81]

    Physical Review A , volume =

    Quantum computation with quantum dots , author =. Physical Review A , volume =. 1998 , month =

    1998

  36. [82]

    and Vogl, P

    Rieger, Martin M. and Vogl, P. , doi=. Electronic-band parameters in strained. Physical Review B , volume =. 1993 , month =

    1993

  37. [83]

    and Watson, T

    Xue, X. and Watson, T. F. and Helsen, J. and Ward, D. R. and Savage, D. E. and Lagally, M. G. and Coppersmith, S. N. and Eriksson, M. A. and Wehner, S. and Vandersypen, L. M. K. , journal =. Benchmarking Gate Fidelities in a. 2019 , month =

    2019

  38. [84]

    Veldhorst, J

    M. Veldhorst, J. C. C. Hwang, C. H. Yang, A. W. Leenstra, B. de Ronde, J. P. Dehollain, J. T. Muhonen, F. E. Hudson, K. M. Itoh, A. Morello, and A. S. Dzurak , title =. Nature Nanotechnology, 9(12):981–985 , year =

  39. [85]

    and Bean, J

    People, R. and Bean, J. C. , title =. Applied Physics Letters , volume =. 1986 , month =

    1986

  40. [86]

    Semiconductor Science and Technology , abstract =

    Lianfeng Yang and Jeremy R Watling and Richard C W Wilkins and Mirela Boriçi and John R Barker and Asen Asenov and Scott Roy , title =. Semiconductor Science and Technology , abstract =. 2004 , month =. doi:10.1088/0268-1242/19/10/002 , url =

    work page doi:10.1088/0268-1242/19/10/002 2004

  41. [87]

    Physical Review B , volume =

    Ab initio molecular dynamics for open-shell transition metals , author =. Physical Review B , volume =. 1993 , month =. doi:10.1103/PhysRevB.48.13115 , url =

    work page doi:10.1103/physrevb.48.13115 1993

  42. [88]

    Physical Review B , volume =

    Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set , author =. Physical Review B , volume =. 1996 , month =. doi:10.1103/PhysRevB.54.11169 , url =

    work page doi:10.1103/physrevb.54.11169 1996

  43. [89]

    Kresse and J

    G. Kresse and J. Furthmüller , abstract =. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , journal =. 1996 , issn =. doi:https://doi.org/10.1016/0927-0256(96)00008-0 , url =

    work page doi:10.1016/0927-0256(96)00008-0 1996

  44. [90]

    uhlberger, M. and Sch\

    Lai, K. and Pan, W. and Tsui, D. C. and Lyon, S. and M\"uhlberger, M. and Sch\"affler, F. , journal =. Two-Flux Composite Fermion Series of the Fractional Quantum. 2004 , doi =

    2004

  45. [91]

    doi:10.1103/PhysRevLett.105.196403 , journal =

    Efficient Band Gap Prediction for Solids , author =. doi:10.1103/PhysRevLett.105.196403 , journal =

    work page doi:10.1103/physrevlett.105.196403

  46. [92]

    Physical Review B , doi=

    Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites , author =. Physical Review B , doi=

  47. [93]

    and Ernzerhof, Matthias , title =

    Heyd, Jochen and Scuseria, Gustavo E. and Ernzerhof, Matthias , title =. 2003 , month =. doi:https://doi.org/10.1063/1.1564060 , journal =

    work page doi:10.1063/1.1564060 2003

  48. [94]

    Physical Review B , doi =

    Band alignment of semiconductors from density-functional theory and many-body perturbation theory , author =. Physical Review B , doi =. 2014 , month =

    2014

  49. [95]

    Physical Review Letters , volume =

    Generalized Gradient Approximation Made Simple , author =. Physical Review Letters , volume =. 1996 , month =. doi:10.1103/PhysRevLett.77.3865 , url =

    work page doi:10.1103/physrevlett.77.3865 1996

  50. [96]

    Weber J. et al. , title =. Physical review. B, Condensed matter 40(8):5683-5693 , year =

  51. [97]

    Improving Charge Transfer Beyond Conventional Heterojunction Photoelectrodes: Fundamentals, Strategies and Applications , volume =

    Miao, Jiaming and Yang, Yilong and Cui, Peng and Ru, Changzhou and Kan, Zhang , year =. Improving Charge Transfer Beyond Conventional Heterojunction Photoelectrodes: Fundamentals, Strategies and Applications , volume =

  52. [98]

    and Taylor, P

    Scappucci, G. and Taylor, P. J. and Williams, J. R. and Ginley, T. and Law, S. , date =. Crystalline materials for quantum computing: Semiconductor heterostructures and topological insulators exemplars , url =. MRS Bulletin , number =. 2021 , bdsk-url-1 =. doi:10.1557/s43577-021-00147-8 , id =

    work page doi:10.1557/s43577-021-00147-8 2021

  53. [99]

    and Nicklas, K

    Wadehra, A. and Nicklas, K. and Wilkins, J. W. , title =. Applied Physics Letters , year =

  54. [100]

    AIP Advances , volume =

    Tan, Chee-Keong and Tansu, Nelson , title =. AIP Advances , volume =. 2015 , month =. doi:10.1063/1.4906569 , url =

    work page doi:10.1063/1.4906569 2015

  55. [101]

    Wang, Y. et al. , title =. Physical Review B , year =

  56. [102]

    and Wunderlich, J

    Sinova, Jairo and Valenzuela, Sergio O. and Wunderlich, J. and Back, C. H. and Jungwirth, T. , journal =. spin. 2015 , month =. doi:10.1103/RevModPhys.87.1213 , url =

    work page doi:10.1103/revmodphys.87.1213 2015

  57. [103]

    Anyons and the

    Ady Stern , keywords =. Anyons and the. Annals of Physics , volume =. 2008 , note =. doi:https://doi.org/10.1016/j.aop.2007.10.008 , url =

    work page doi:10.1016/j.aop.2007.10.008 2008

  58. [104]

    and Störmer, H

    Dingle, R. and Störmer, H. L. and Gossard, A. C. and Wiegmann, W. , title =. Applied Physics Letters , volume =. 1978 , month =. doi:10.1063/1.90457 , url =

    work page doi:10.1063/1.90457 1978

  59. [105]

    Monarkha, Yu. P. and Syvokon, V. E. , title =. Low Temperature Physics , volume =. 2012 , month =

    2012

  60. [106]

    and Smart, J

    Ambacher, O. and Smart, J. and Shealy, J. R. and Weimann, N. G. and Chu, K. and Murphy, M. and Schaff, W. J. and Eastman, L. F. and Dimitrov, R. and Wittmer, L. and Stutzmann, M. and Rieger, W. and Hilsenbeck, J. , title =. Journal of Applied Physics , volume =. 1999 , month =

    1999

  61. [107]

    Störmer, H. L. and Tsang, W.‐T. , title =. Applied Physics Letters , volume =. 1980 , month =. doi:10.1063/1.91624 , url =

    work page doi:10.1063/1.91624 1980

  62. [108]

    Störmer and R

    H.L. Störmer and R. Dingle and A.C. Gossard and W. Wiegmann and M.D. Sturge , abstract =. Two-dimensional electron gas at a semiconductor-semiconductor interface , journal =. 1979 , issn =. doi:https://doi.org/10.1016/0038-1098(79)91010-X , url =

    work page doi:10.1016/0038-1098(79)91010-x 1979

  63. [109]

    Dismukes, J. P. and Ekstrom, L. and Paff, R. J. , title =. The Journal of Physical Chemistry , volume =

  64. [110]

    1958 , month =

    Intrinsic Optical Absorption in Germanium Silicon Alloys , author =. 1958 , month =. doi:https://doi.org/10.1103/PhysRev.109.695 , journal =

    work page doi:10.1103/physrev.109.695 1958

  65. [111]

    Edlbauer, Hermann and Wang, Junliang and Huq, A. M. Saffat-Ee and Thorvaldson, Ian and Jones, Michael T. and Misha, Saiful Haque and Pappas, William J. and Moehle, Christian M. and Hsueh, Yu-Ling and Bornemann, Henric and Gorman, Samuel K. and Chung, Yousun and Keizer, Joris G. and Kranz, Ludwik and Simmons, Michelle Y. , date =. An 11-qubit atom processo...

    work page doi:10.1038/s41586-025-09827-w 2025

  66. [112]

    Advances in Physics , volume =

    Luca Chirolli and Guido Burkard , title =. Advances in Physics , volume =. 2008 , publisher =. doi:10.1080/00018730802218067 , URL =

    work page doi:10.1080/00018730802218067 2008

  67. [113]

    2004 , month =

    Douglas J Paul , title =. 2004 , month =. doi:10.1088/0268-1242/19/10/R02 , url =

    work page doi:10.1088/0268-1242/19/10/r02 2004

  68. [114]

    Reports on Progress in Physics , abstract =

    F Aryasetiawan and O Gunnarsson , title =. Reports on Progress in Physics , abstract =. 1998 , month =. doi:10.1088/0034-4885/61/3/002 , url =

    work page doi:10.1088/0034-4885/61/3/002 1998

  69. [115]

    Physical Review B , volume =

    Projector augmented-wave method , author =. Physical Review B , volume =. 1994 , month =. doi:10.1103/PhysRevB.50.17953 , url =

    work page doi:10.1103/physrevb.50.17953 1994

  70. [116]

    Virtual-crystal approximation and alloy broadening of intersubband transitions in p-type

    Ikoni. Virtual-crystal approximation and alloy broadening of intersubband transitions in p-type. Physical Review B , volume =. 2001 , month =. doi:10.1103/PhysRevB.64.125308 , url =

    work page doi:10.1103/physrevb.64.125308 2001

  71. [117]

    and Melis, Claudio and Bernardini, Fabio and Colombo, Luciano , journal =

    Hahn, Konstanze R. and Melis, Claudio and Bernardini, Fabio and Colombo, Luciano , journal =. Intrinsic thermoelectric figure of merit of bulk compositional. 2021 , month =. doi:10.1103/PhysRevMaterials.5.065403 , url =

    work page doi:10.1103/physrevmaterials.5.065403 2021

  72. [118]

    Structure and thermodynamics of

    de Gironcoli, Stefano and Giannozzi, Paolo and Baroni, Stefano , journal =. Structure and thermodynamics of. 1991 , month =. doi:10.1103/PhysRevLett.66.2116 , url =

    work page doi:10.1103/physrevlett.66.2116 1991

  73. [119]

    Effects of colored disorder on the heat conductivity of

    Fiorentino, Alfredo and Pegolo, Paolo and Baroni, Stefano and Donadio, Davide , journal =. Effects of colored disorder on the heat conductivity of. 2025 , month =. doi:10.1103/PhysRevB.111.134205 , url =

    work page doi:10.1103/physrevb.111.134205 2025

  74. [120]

    and Kassali, Kamel and Lebga, Noudjoud , year =

    Langueur, H. and Kassali, Kamel and Lebga, Noudjoud , year =. Density Functional Study of Structural, Mechanic, Thermodynamic and Dynamic Properties of. Journal of Computational and Theoretical Nanoscience , doi =

  75. [121]

    Physical Review B , volume =

    Spin-orbit splitting of the valence bands in silicon determined by means of high-resolution photoconductive spectroscopy , author =. Physical Review B , volume =. 1989 , month =. doi:10.1103/PhysRevB.39.6287 , url =

    work page doi:10.1103/physrevb.39.6287 1989

  76. [122]

    and Patrick, Christopher E

    Chang, Yide and Yates, Jonathan R. and Patrick, Christopher E. , date =. First-Principles Band Alignments at the. 2023 , year1 =. doi:10.1021/acsomega.3c02865 , journal =

    work page doi:10.1021/acsomega.3c02865 2023

  77. [123]

    ACS Omega , volume =

    Tsai, Yi Chia and Bayram, Can , title =. ACS Omega , volume =. 2020 , doi =

    2020

  78. [124]

    Liu and V

    C.W. Liu and V. Venkataraman , keywords =. Growth and electron effective mass measurements of strained. Materials Chemistry and Physics , volume =. 1997 , issn =. doi:https://doi.org/10.1016/S0254-0584(97)80123-X , url =

    work page doi:10.1016/s0254-0584(97)80123-x 1997

  79. [125]

    and Nelson, S

    Ismail, K. and Nelson, S. F. and Chu, J. O. and Meyerson, B. S. , title =. Applied Physics Letters , volume =. 1993 , month =. doi:10.1063/1.109949 , url =

    work page doi:10.1063/1.109949 1993

  80. [126]

    and Schäffler, F

    Schuberth, G. and Schäffler, F. and Besson, M. and Abstreiter, G. and Gornik, E. , title =. Applied Physics Letters , volume =. 1991 , month =. doi:10.1063/1.105718 , url =

    work page doi:10.1063/1.105718 1991

Showing first 80 references.