Emergence of topological electronic phases in elemental lithium under pressure

Autor Mack, Stephanie A., Griffin, Sinéad M., Neaton, Jeffrey B.
Vydáno v Proc Natl Acad Sci U S A (2019)

Superlattice-induced ferroelectricity in charge-ordered La(1/3)Sr(2/3)FeO(3)

Autor Park, Se Young, Rabe, Karin M., Neaton, Jeffrey B.
Vydáno v Proc Natl Acad Sci U S A (2019)

Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures

Autor Jasti, Ramesh, Bhattacharjee, Joydeep, Neaton, Jeffrey B., Bertozzi, Carolyn R.
Vydáno 2008

Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

Autor Bernardi, Marco, Mustafa, Jamal, Neaton, Jeffrey B., Louie, Steven G.
Vydáno v Nat Commun (2015)

An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation

Autor Rangel, Tonatiuh, Hamed, Samia M., Bruneval, Fabien, Neaton, Jeffrey B.
Vydáno v J Chem Phys (2017)

Voltage tuning of vibrational mode energies in single-molecule junctions

Autor Li, Yajing, Doak, Peter, Kronik, Leeor, Neaton, Jeffrey B., Natelson, Douglas
Vydáno 2014

Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

Autor Egger, David A., Liu, Zhen-Fei, Neaton, Jeffrey B., Kronik, Leeor
Vydáno v Nano Lett (2015)

Chemically Localized Resonant Excitons in Silver–Pnictogen Halide Double Perovskites

Autor Biega, Raisa-Ioana, Filip, Marina R., Leppert, Linn, Neaton, Jeffrey B.
Vydáno v J Phys Chem Lett (2021)

Charge transport and rectification in molecular junctions formed with carbon-based electrodes

Autor Kim, Taekyeong, Liu, Zhen-Fei, Lee, Chulho, Neaton, Jeffrey B., Venkataraman, Latha
Vydáno 2014

Ab initio study of hot electrons in GaAs

Autor Bernardi, Marco, Vigil-Fowler, Derek, Ong, Chin Shen, Neaton, Jeffrey B., Louie, Steven G.
Vydáno v Proc Natl Acad Sci U S A (2015)

An automatically curated first-principles database of ferroelectrics

Autor Smidt, Tess E., Mack, Stephanie A., Reyes-Lillo, Sebastian E., Jain, Anubhav, Neaton, Jeffrey B.
Vydáno v Sci Data (2020)

Enhancement of CO(2) binding and mechanical properties upon diamine functionalization of M(2)(dobpdc) metal–organic frameworks

Autor Lee, Jung-Hoon, Siegelman, Rebecca L., Maserati, Lorenzo, Rangel, Tonatiuh, Helms, Brett A., Long, Jeffrey R., Neaton, Jeffrey B.
Vydáno v Chem Sci (2018)

Anisotropic Dirac Fermions in BaMnBi(2) and BaZnBi(2)

Autor Ryu, Hyejin, Park, Se Young, Li, Lijun, Ren, Weijun, Neaton, Jeffrey B., Petrovic, Cedomir, Hwang, Choongyu, Mo, Sung-Kwan
Vydáno v Sci Rep (2018)

Correction: Enhancement of CO(2) binding and mechanical properties upon diamine functionalization of M(2)(dobpdc) metal–organic frameworks

Autor Lee, Jung-Hoon, Siegelman, Rebecca L., Maserati, Lorenzo, Rangel, Tonatiuh, Helms, Brett A., Long, Jeffrey R., Neaton, Jeffrey B.
Vydáno v Chem Sci (2019)

Correction: CO(2) induced phase transitions in diamine-appended metal–organic frameworks

Autor Vlaisavljevich, Bess, Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, Smit, Berend
Vydáno v Chem Sci (2019)

Probing Charge Transport through Peptide Bonds

Autor Brisendine, Joseph M., Refaely-Abramson, Sivan, Liu, Zhen-Fei, Cui, Jing, Ng, Fay, Neaton, Jeffrey B., Koder, Ronald L., Venkataraman, Latha
Vydáno v J Phys Chem Lett (2018)

CO(2) induced phase transitions in diamine-appended metal–organic frameworks

Autor Vlaisavljevich, Bess, Odoh, Samuel O., Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, Smit, Berend
Vydáno v Chem Sci (2015)

A reversible single-molecule switch based on activated antiaromaticity

Autor Yin, Xiaodong, Zang, Yaping, Zhu, Liangliang, Low, Jonathan Z., Liu, Zhen-Fei, Cui, Jing, Neaton, Jeffrey B., Venkataraman, Latha, Campos, Luis M.
Vydáno v Sci Adv (2017)

Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

Autor Egger, David A., Weissman, Shira, Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Dauth, Matthias, Baer, Roi, Kümmel, Stephan, Neaton, Jeffrey B., Zojer, Egbert, Kronik, Leeor
Vydáno 2014

Low-lying excited states in crystalline perylene

Autor Rangel, Tonatiuh, Rinn, Andre, Sharifzadeh, Sahar, da Jornada, Felipe H., Pick, André, Louie, Steven G., Witte, Gregor, Kronik, Leeor, Neaton, Jeffrey B., Chatterjee, Sangam
Vydáno v Proc Natl Acad Sci U S A (2018)