Search Results - "Qiu, Diana Y."

Defect-Induced Modification of Low-Lying Excitons and Valley Selectivity in Monolayer Transition Metal Dichalcogenides by Refaely-Abramson, Sivan, Qiu, Diana Y, Louie, Steven G, Neaton, Jeffrey B

“…We study the effect of point-defect chalcogen vacancies on the optical properties of monolayer transition metal dichalcogenides using ab initio GW and…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

Unsupervised representation learning of Kohn–Sham states and consequences for downstream predictions of many-body effects by Hou, Bowen, Wu, Jinyuan, Qiu, Diana Y.

“…Representation learning for the electronic structure problem is a major challenge of machine learning in computational condensed matter and materials physics…”
Get full text

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides by Barja, Sara, Refaely-Abramson, Sivan, Schuler, Bruno, Qiu, Diana Y., Pulkin, Artem, Wickenburg, Sebastian, Ryu, Hyejin, Ugeda, Miguel M., Kastl, Christoph, Chen, Christopher, Hwang, Choongyu, Schwartzberg, Adam, Aloni, Shaul, Mo, Sung-Kwan, Frank Ogletree, D., Crommie, Michael F., Yazyev, Oleg V., Louie, Steven G., Neaton, Jeffrey B., Weber-Bargioni, Alexander

“…Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low…”
Get full text

Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides by Antonius, Gabriel, Qiu, Diana Y, Louie, Steven G

“…We show that the absorption spectra of single-layer GaSe and GaTe in the hexagonal phase feature exciton peaks with distinct polarization selectivity. We…”
Get full text

The role of chalcogen vacancies for atomic defect emission in MoS2 by Mitterreiter, Elmar, Schuler, Bruno, Micevic, Ana, Hernangómez-Pérez, Daniel, Barthelmi, Katja, Cochrane, Katherine A., Kiemle, Jonas, Sigger, Florian, Klein, Julian, Wong, Edward, Barnard, Edward S., Watanabe, Kenji, Taniguchi, Takashi, Lorke, Michael, Jahnke, Frank, Finley, Johnathan J., Schwartzberg, Adam M., Qiu, Diana Y., Refaely-Abramson, Sivan, Holleitner, Alexander W., Weber-Bargioni, Alexander, Kastl, Christoph

“…For two-dimensional (2D) layered semiconductors, control over atomic defects and understanding of their electronic and optical functionality represent major…”
Get full text

Many-body enhancement of high-harmonic generation in monolayer MoS2 by Chang Lee, Victor, Yue, Lun, Gaarde, Mette B., Chan, Yang-hao, Qiu, Diana Y.

“…Many-body effects play an important role in enhancing and modifying optical absorption and other excited-state properties of solids in the perturbative regime,…”
Get full text

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…”
Get full text

Narrow-band high-lying excitons with negative-mass electrons in monolayer WSe2 by Lin, Kai-Qiang, Ong, Chin Shen, Bange, Sebastian, Faria Junior, Paulo E., Peng, Bo, Ziegler, Jonas D., Zipfel, Jonas, Bäuml, Christian, Paradiso, Nicola, Watanabe, Kenji, Taniguchi, Takashi, Strunk, Christoph, Monserrat, Bartomeu, Fabian, Jaroslav, Chernikov, Alexey, Qiu, Diana Y., Louie, Steven G., Lupton, John M.

“…Monolayer transition-metal dichalcogenides (TMDCs) show a wealth of exciton physics. Here, we report the existence of a new excitonic species, the high-lying…”
Get full text

Large exchange-driven intrinsic circular dichroism of a chiral 2D hybrid perovskite by Li, Shunran, Xu, Xian, Kocoj, Conrad A., Zhou, Chenyu, Li, Yanyan, Chen, Du, Bennett, Joseph A., Liu, Sunhao, Quan, Lina, Sarker, Suchismita, Liu, Mingzhao, Qiu, Diana Y., Guo, Peijun

“…In two-dimensional chiral metal-halide perovskites, chiral organic spacers endow structural and optical chirality to the metal-halide sublattice, enabling…”
Get full text

Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations by Qiu, Diana Y, Cao, Ting, Louie, Steven G

“…Exciton dispersion as a function of center-of-mass momentum Q is essential to the understanding of exciton dynamics. We use the ab initio GW-Bethe-Salpeter…”
Get full text

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…”
Get full text

Signatures of Dimensionality and Symmetry in Exciton Band Structure: Consequences for Exciton Dynamics and Transport by Qiu, Diana Y, Cohen, Galit, Novichkova, Dana, Refaely-Abramson, Sivan

“…Exciton dynamics, lifetimes, and scattering are directly related to the exciton dispersion or band structure. Here, we present a general theory for exciton…”
Get full text

Gate Switchable Transport and Optical Anisotropy in 90° Twisted Bilayer Black Phosphorus by Cao, Ting, Li, Zhenglu, Qiu, Diana Y, Louie, Steven G

“…Anisotropy describes the directional dependence of a material’s properties such as transport and optical response. In conventional bulk materials, anisotropy…”
Get full text

Minimal Molecular Building Blocks for Screening in Quasi-Two-Dimensional Organic–Inorganic Lead Halide Perovskites by McArthur, Jack, Filip, Marina R., Qiu, Diana Y.

“…Layered hybrid organic–inorganic lead halide perovskites have intriguing optoelectronic properties, but some of the most interesting perovskite systems, such…”
Get full text

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…”
Get full text

Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer WS2 by Schuler, Bruno, Qiu, Diana Y, Refaely-Abramson, Sivan, Kastl, Christoph, Chen, Christopher T, Barja, Sara, Koch, Roland J, Ogletree, D Frank, Aloni, Shaul, Schwartzberg, Adam M, Neaton, Jeffrey B, Louie, Steven G, Weber-Bargioni, Alexander

“…Structural defects in 2D materials offer an effective way to engineer new material functionalities beyond conventional doping. We report on the direct…”
Get full text

Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials by Zhang, Chunyi, Tang, Fujie, Chen, Mohan, Xu, Jianhang, Zhang, Linfeng, Qiu, Diana Y, Perdew, John P, Klein, Michael L, Wu, Xifan

“…Within the framework of Kohn–Sham density functional theory (DFT), the ability to provide good predictions of water properties by employing a strongly…”
Get full text