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RESEARCH PAPER · Physical Review Letters · 2015

Intrinsic Transparent Conductors without Doping

Xiuwen Zhang, Lijun Zhang, John D. Perkins, Alex Zunger

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Intrinsic Transparent Conductors without DopingOriginalMetals amassing transparency19Incomplete Peierls-like chain dimerization as a mechanism for intrinsic conductivity and optical transparency: A La-Cu-O-S phase with mixed-anion layers as a case study4Electroactive Nanoporous Metal Oxides and Chalcogenides by Chemical Design11The electronic and optical properties of the sulvanite compounds: a many-body perturbation and time-dependent density functional theory study12Inverse design in search of materials with target functionalities513Phonon-assisted optical absorption in BaSnO3 from first principles34Optical absorption driven by dynamical symmetry breaking in indium oxide20Assessing High-Throughput Descriptors for Prediction of Transparent Conductors86Computational screening of bulk materials with intrinsic intermediate band11Structural and electrical properties of transparent conductor SrVO3 thin films grown using radio frequency sputtering deposition19Heteroanionic Materials by Design: Progress Toward Targeted Properties236Spontaneous Non-stoichiometry and Ordering in Degenerate but Gapped Transparent Conductors44Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain52Strain tuning of plasma frequency in vanadate, niobate, and molybdate perovskite oxides28Gapped metals as thermoelectric materials revealed by high-throughput screening31High infrared transparency up to 8-μm-wavelength in correlated vanadium Wadsley conductors14Oxygen‐Vacancy‐Endurable Conductors with Enhanced Transparency Using Correlated 4d2 SrMoO3 Thin Films32Amorphization of Indirect Band Gap Semiconductors To Tune Their Optoelectronic Properties16Hole antidoping of oxides16The Rashba Scale: Emergence of Band Anti-crossing as a Design Principle for Materials with Large Rashba Coefficient52Inverse design of compounds that have simultaneously ferroelectric and Rashba cofunctionality39False metals, real insulators, and degenerate gapped metals80Understanding Doping of Quantum Materials170Design Principles for the Enhanced Transparency Range of Correlated Transparent Conductors22Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings91Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTiO315Epitaxial Bi2Sr2CuOu y thin films as p-type transparent conductors2High-throughput search for lossless metals9First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S416Stable Correlated 4d 2 SrMoO 3 Films Epitaxially Coated on Al 2 O 3 for Electromagnetic Shielding and Transparent Conductors7Vertically aligned nanocomposite films by self‐assembled epitaxial nucleation for super‐broadband transparent conductors1Spontaneous off-stoichiometry as the knob to control the dielectric properties of gapped metals6Fermi-Level Instability as a Way to Tailor the Properties of La3Te413Rise and fall of Mott insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking17Polar Perturbations in Functional Oxide Heterostructures15Optical properties and electronic structures of intrinsic gapped metals: Inverse materials design principles for transparent conductors15Tuning the Casimir-Lifshitz force with gapped metals7Optimizing cell voltage dependence on size of carbon nanotube-based electrodes in Na-ion and K-ion batteries3Optical properties of metallic MXene multilayers through advanced first-principles calculations6From Design to Device: Challenges and Opportunities in Computational Discovery of p -Type Transparent Conductors18Opening the Hysteresis Loop in Ferromagnetic Fe3GeTe2 Nanosheets Through Functionalization with TCNQ Molecules5Opening the Hysteresis Loop in Ferromagnetic Fe3GeTe2 Nanosheets Through Functionalization with TCNQ Molecules0Interplay between intrinsic defects and optoelectronic properties of semi-Heusler gapped metals1Design of Intrinsic Transparent Conductors from a Synergetic Effect of Symmetry and Spatial-Distribution Forbidden Transitions10Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases7Unveiling defect physics in gapped metals: a theoretical investigation into defect formation and electronic structure interplay3Off‐Stoichiometry Engineering of the Electrical and Optical Properties of SrNbO 3 Using Oxide Molecular Beam Epitaxy5Hyper-gap transparent conductor9Tuning Carrier Type and Density in Highly Conductive and Infrared-Transparent (Bi 1– x Sb x ) 2 Te 3 Films0Type-III SnO 2 /SnSe 2 metal heterostructure as an intrinsic transparent conductor0Machine-learning-assisted density functional theory for predicting transparent conducting materials2Exploring gapped metals: An emerging class of multi-functional quantum materials1Toward dopant-free transparent electronics: Cu3SiS4 as a stable intrinsic p -type conductor0

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  1. Metals amassing transparency

    Nature Materials · 2015-12-14

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  2. Incomplete Peierls-like chain dimerization as a mechanism for intrinsic conductivity and optical transparency: A La-Cu-O-S phase with mixed-anion layers as a case study

    Physical Review B · 2015-12-22

    Jino Im, Giancarlo Trimarchi, Kenneth Reinhard Poeppelmeier, Alex Zunger

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  3. Electroactive Nanoporous Metal Oxides and Chalcogenides by Chemical Design

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  4. The electronic and optical properties of the sulvanite compounds: a many-body perturbation and time-dependent density functional theory study

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  5. Inverse design in search of materials with target functionalities

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  6. Phonon-assisted optical absorption in BaSnO3 from first principles

    Physical review. B./Physical review. B · 2018-03-30

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  7. Optical absorption driven by dynamical symmetry breaking in indium oxide

    Physical review. B./Physical review. B · 2018-10-16

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  8. Assessing High-Throughput Descriptors for Prediction of Transparent Conductors

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    Rachel Woods‐Robinson, Danny Broberg, Alireza Faghaninia, Anubhav Jain, Shyam Dwaraknath, Kristin Aslaug Persson

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  9. Computational screening of bulk materials with intrinsic intermediate band

    Computational Materials Science · 2018-12-02

    Douglas José Baquião Ribeiro, Gustavo M. Dalpian

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  10. Structural and electrical properties of transparent conductor SrVO3 thin films grown using radio frequency sputtering deposition

    Journal of Vacuum Science & Technology A Vacuum Surfaces and Films · 2019-01-22

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  11. Heteroanionic Materials by Design: Progress Toward Targeted Properties

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  12. Spontaneous Non-stoichiometry and Ordering in Degenerate but Gapped Transparent Conductors

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  13. Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

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  14. Strain tuning of plasma frequency in vanadate, niobate, and molybdate perovskite oxides

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  15. Gapped metals as thermoelectric materials revealed by high-throughput screening

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  16. High infrared transparency up to 8-μm-wavelength in correlated vanadium Wadsley conductors

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    Songhee Choi, Joongoo Kang, Sangkyun Ryu, Hyoungjeen Jeen, Jaeseok Son, Shinbuhm Lee

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  17. Oxygen‐Vacancy‐Endurable Conductors with Enhanced Transparency Using Correlated 4d2 SrMoO3 Thin Films

    Advanced Functional Materials · 2020-05-25

    Youngkyoung Ha, Shinbuhm Lee

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  18. Amorphization of Indirect Band Gap Semiconductors To Tune Their Optoelectronic Properties

    The Journal of Physical Chemistry C · 2020-05-29

    Oleksandr I. Malyi, Carlos Mera Acosta

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  19. Hole antidoping of oxides

    Physical review. B./Physical review. B · 2020-06-08

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  20. The Rashba Scale: Emergence of Band Anti-crossing as a Design Principle for Materials with Large Rashba Coefficient

    Matter · 2020-07-01

    Carlos Mera Acosta, Elton Ogoshi, Adalberto Fazzio, Gustavo M. Dalpian, Alex Zunger

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  21. Inverse design of compounds that have simultaneously ferroelectric and Rashba cofunctionality

    Physical review. B./Physical review. B · 2020-10-14

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  22. False metals, real insulators, and degenerate gapped metals

    Applied Physics Reviews · 2020-11-30

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  23. Understanding Doping of Quantum Materials

    Chemical Reviews · 2021-01-22

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  24. Design Principles for the Enhanced Transparency Range of Correlated Transparent Conductors

    Laser & Photonics Review · 2021-03-08

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  25. Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings

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    Shufeng Kong, Francesco Ricci, Dan Guevarra, Jeffrey B. Neaton, Carla Pedro Gomes, John M. Gregoire

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  26. Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTiO3

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  27. Epitaxial Bi2Sr2CuOu y thin films as p-type transparent conductors

    Chinese Physics B · 2022-04-18

    Chen Zhou, Wangping Cheng, Yuandi He, Cheng Shao, Ling Hu, Renhuai Wei, Jinggang Qin, Wenhai Song, Xuebin Zhu, Chuanbing Cai, Yuping Sun

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  28. High-throughput search for lossless metals

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  29. First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S4

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  30. Stable Correlated 4d 2 SrMoO 3 Films Epitaxially Coated on Al 2 O 3 for Electromagnetic Shielding and Transparent Conductors

    Advanced Materials Interfaces · 2022-09-14

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  31. Vertically aligned nanocomposite films by self‐assembled epitaxial nucleation for super‐broadband transparent conductors

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  32. Spontaneous off-stoichiometry as the knob to control the dielectric properties of gapped metals

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  35. Polar Perturbations in Functional Oxide Heterostructures

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  37. Tuning the Casimir-Lifshitz force with gapped metals

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  38. Optimizing cell voltage dependence on size of carbon nanotube-based electrodes in Na-ion and K-ion batteries

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  40. From Design to Device: Challenges and Opportunities in Computational Discovery of p -Type Transparent Conductors

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  41. Opening the Hysteresis Loop in Ferromagnetic Fe3GeTe2 Nanosheets Through Functionalization with TCNQ Molecules

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  43. Interplay between intrinsic defects and optoelectronic properties of semi-Heusler gapped metals

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  44. Design of Intrinsic Transparent Conductors from a Synergetic Effect of Symmetry and Spatial-Distribution Forbidden Transitions

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  50. Type-III SnO 2 /SnSe 2 metal heterostructure as an intrinsic transparent conductor

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