Search Results - "da Jornada, Felipe H."

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus by Qiu, Diana Y, da Jornada, Felipe H, Louie, Steven G

“…Few-layer black phosphorus has recently emerged as a promising 2D semiconductor, notable for its widely tunable bandgap, highly anisotropic properties, and…”
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Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals by da Jornada, Felipe H., Xian, Lede, Rubio, Angel, Louie, Steven G.

“…Plasmons depend strongly on dimensionality: while plasmons in three-dimensional systems start with finite energy at wavevector q  = 0, plasmons in traditional…”
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Direct observation of the layer-dependent electronic structure in phosphorene by Li, Likai, Kim, Jonghwan, Jin, Chenhao, Ye, Guo Jun, Qiu, Diana Y., da Jornada, Felipe H., Shi, Zhiwen, Chen, Long, Zhang, Zuocheng, Yang, Fangyuan, Watanabe, Kenji, Taniguchi, Takashi, Ren, Wencai, Louie, Steven G., Chen, Xian Hui, Zhang, Yuanbo, Wang, Feng

“…Investigation of the electronic structure in few-layer phosphorene reveals optical transitions relevant for technologically important electronic and…”
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Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor by Ugeda, Miguel M., Bradley, Aaron J., Shi, Su-Fei, da Jornada, Felipe H., Zhang, Yi, Qiu, Diana Y., Ruan, Wei, Mo, Sung-Kwan, Hussain, Zahid, Shen, Zhi-Xun, Wang, Feng, Louie, Steven G., Crommie, Michael F.

“…Transition metal dichalcogenides are attracting widespread attention for their appealing optoelectronic properties. Using a combination of numerical and…”
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Accelerating GW-Based Energy Level Alignment Calculations for Molecule–Metal Interfaces Using a Substrate Screening Approach by Liu, Zhen-Fei, da Jornada, Felipe H, Louie, Steven G, Neaton, Jeffrey B

“…The physics of electronic energy level alignment at interfaces formed between molecules and metals can in general be accurately captured by the ab initio GW…”
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Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures by Bradley, Aaron J, M. Ugeda, Miguel, da Jornada, Felipe H, Qiu, Diana Y, Ruan, Wei, Zhang, Yi, Wickenburg, Sebastian, Riss, Alexander, Lu, Jiong, Mo, Sung-Kwan, Hussain, Zahid, Shen, Zhi-Xun, Louie, Steven G, Crommie, Michael F

“…Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers…”
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Quasiparticle and Optical Properties of Carrier-Doped Monolayer MoTe2 from First Principles by Champagne, Aurélie, Haber, Jonah B., Pokawanvit, Supavit, Qiu, Diana Y., Biswas, Souvik, Atwater, Harry A., da Jornada, Felipe H., Neaton, Jeffrey B.

“…The intrinsic weak and highly nonlocal dielectric screening of two-dimensional materials is well-known to lead to high sensitivity of their optoelectronic…”
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Tuning Many-Body Interactions in Graphene: The Effects of Doping on Excitons and Carrier Lifetimes by Mak, Kin Fai, da Jornada, Felipe H., He, Keliang, Deslippe, Jack, Petrone, Nicholas, Hone, James, Shan, Jie, Louie, Steven G., Heinz, Tony F.

“…The optical properties of graphene are strongly affected by electron-electron (e-e) and electron-hole (e-h) interactions. Here we tune these many-body…”
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Low-lying excited states in crystalline perylene by Rangel, Tonatiuh, Rinn, Andre, Sharifzadeh, Sahar, da Jornada, Felipe H., Pick, André, Louie, Steven G., Witte, Gregor, Kronik, Leeor, Neaton, Jeffrey B., Chatterjee, Sangam

“…Organic materials are promising candidates for advanced optoelectronics and are used in light-emitting diodes and photovoltaics. However, the underlying…”
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Discovering and understanding materials through computation by Louie, Steven G., Chan, Yang-Hao, da Jornada, Felipe H., Li, Zhenglu, Qiu, Diana Y.

“…Materials modelling and design using computational quantum and classical approaches is by now well established as an essential pillar in condensed matter…”
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Experimental measurement of the intrinsic excitonic wave function by Man, Michael K L, Madéo, Julien, Sahoo, Chakradhar, Xie, Kaichen, Campbell, Marshall, Pareek, Vivek, Karmakar, Arka, Wong, E Laine, Al-Mahboob, Abdullah, Chan, Nicholas S, Bacon, David R, Zhu, Xing, Abdelrasoul, Mohamed M M, Li, Xiaoqin, Heinz, Tony F, da Jornada, Felipe H, Cao, Ting, Dani, Keshav M

“…An exciton, a two-body composite quasiparticle formed of an electron and hole, is a fundamental optical excitation in condensed matter systems. Since its…”
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Sustainable chemistry with plasmonic photocatalysts by Yuan, Lin, Bourgeois, Briley B., Carlin, Claire C., da Jornada, Felipe H., Dionne, Jennifer A.

“…There is a pressing global need to increase the use of renewable energy sources and limit greenhouse gas emissions. Towards this goal, highly efficient and…”
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Optical spectrum of MoS2: many-body effects and diversity of exciton states by Qiu, Diana Y, da Jornada, Felipe H, Louie, Steven G

“…We present first-principles calculations of the optical response of monolayer molybdenum disulfide employing the GW-Bethe-Salpeter equation (GW-BSE) approach…”
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Targeted materials discovery using Bayesian algorithm execution by Chitturi, Sathya R., Ramdas, Akash, Wu, Yue, Rohr, Brian, Ermon, Stefano, Dionne, Jennifer, Jornada, Felipe H. da, Dunne, Mike, Tassone, Christopher, Neiswanger, Willie, Ratner, Daniel

“…Rapid discovery and synthesis of future materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is…”
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Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the GW Method: Correlation-Enhanced Interactions and Superconductivity in Ba1−xKxBiO3 by Li, Zhenglu, Antonius, Gabriel, Wu, Meng, da Jornada, Felipe H, Louie, Steven G

“…We present a new first-principles linear-response theory of changes due to perturbations in the quasiparticle self-energy operator within the GW method. This…”
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Ab initio Modelling of Plasmons in Metal‐semiconductor Bilayer Transition‐metal Dichalcogenide Heterostructures by Sen, Huseyin Sener, Xian, Lede, H. da Jornada, Felipe, Louie, Steven G., Rubio, Angel

“…Two‐dimensional transition‐metal dichalcogenides (TMDs) have attracted enormous interest, due to the richness of their optical and electronic properties. Here,…”
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Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations by Altman, Aaron R, Kundu, Sudipta, da Jornada, Felipe H

“…We present an approach for GW calculations of quasiparticle energies with quasiquadratic scaling by approximating high-energy contributions to the Green's…”
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Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions by Chan, Yang-Hao, Qiu, Diana Y., da Jornada, Felipe H., Louie, Steven G.

“…Shift current is a direct current generated from nonlinear light–matter interaction in a noncentrosymmetric crystal and is considered a promising candidate for…”
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Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach by Refaely-Abramson, Sivan, da Jornada, Felipe H, Louie, Steven G, Neaton, Jeffrey B

“…We develop a new first-principles approach to predict and understand rates of singlet fission with an ab initio Green's-function formalism based on many-body…”
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Intralayer charge-transfer moiré excitons in van der Waals superlattices by Naik, Mit H., Regan, Emma C., Zhang, Zuocheng, Chan, Yang-Hao, Li, Zhenglu, Wang, Danqing, Yoon, Yoseob, Ong, Chin Shen, Zhao, Wenyu, Zhao, Sihan, Utama, M. Iqbal Bakti, Gao, Beini, Wei, Xin, Sayyad, Mohammed, Yumigeta, Kentaro, Watanabe, Kenji, Taniguchi, Takashi, Tongay, Sefaattin, da Jornada, Felipe H., Wang, Feng, Louie, Steven G.

“…Moiré patterns of transition metal dichalcogenide heterobilayers have proved to be an ideal platform on which to host unusual correlated electronic phases,…”
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