Now showing items 21-40 of 892

    • Communication: Projected Hartree Fock theory as a polynomial similarity transformation theory of single excitations 

      Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E. (2016)
      Spin-projected Hartree-Fock is written as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression that we were able to decipher. While the form ...
    • Probing dissociative electron attachment through heavy-Rydberg ion-pair production in Rydberg atom collisions 

      Buathong, S.; Kelley, M.; Dunning, F.B. (2016)
      Electron transfer in collisions between low-n, n = 12, Rydberg atoms and targets that attach low-energy electrons can lead to the formation of heavy-Rydberg ion-pair states comprising a weakly-bound positive-negative ion ...
    • Recoupling the singlet- and triplet-pairing channels in single-reference coupled cluster theory 

      Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. (2016)
      It is well known that single-reference coupled cluster theory truncated to low orders of excitations gives the right answer for the right reason when systems are dominated by dynamical or weak correlation. Static or strong ...
    • Electronic specific heat in BaFe2−xNixAs2 

      Gong, Dongliang; Xie, Tao; Lu, Xingye; Ren, Cong; Shan, Lei; Zhang, Rui; Dai, Pengcheng; Yang, Yi-feng; Luo, Huiqian; Li, Shiliang (2016)
      We have systematically studied the low-temperature specific heat of the BaFe2−xNixAs2 single crystals covering the whole superconducting dome. Using the nonsuperconducting heavily overdoped x=0.3 sample as a reference for ...
    • Impact of uniaxial pressure on structural and magnetic phase transitions in electron-doped iron pnictides 

      Lu, Xingye; Tseng, Kuo-Feng; Keller, T.; Zhang, Wenliang; Hu, Ding; Song, Yu; Man, Haoran; Park, J.T.; Luo, Huiqian; Li, Shiliang; Nevidomskyy, Andriy H.; Dai, Pengcheng (2016)
      We use neutron resonance spin echo and Larmor diffraction to study the effect of uniaxial pressure on the tetragonal-to-orthorhombic structural (Ts) and antiferromagnetic (AF) phase transitions in iron pnictides ...
    • Scaling properties of the plateau transitions in the two-dimensional hole gas system 

      Wang, Xuebin; Liu, Haiwen; Zhu, Junbo; Shan, Pujia; Wang, Pengjie; Fu, Hailong; Du, Lingjie; Pfeiffer, L.N.; West, K.W.; Xie, X.C.; Du, Rui-Rui; Lin, Xi (2016)
      The behavior of phase coherence is studied in two-dimensional hole gas through the integer quantum Hall plateau-to-plateau transition. From the plateau transition as a function of temperature, scaling properties of multiple ...
    • Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods 

      Perdew, John P.; Sun, Jianwei; Garza, Alejandro J.; Scuseria, Gustavo E. (2016)
      The errors in atomization energies (AE) of molecules have long been used to measure the errors of wavefunction or density functional methods for electronic structure calculations. In particular, the G3 set of Pople and ...
    • Singlet-paired coupled cluster theory for open shells 

      Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. (2016)
      Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strongcorrelation. Good coupled ...
    • Electron doping evolution of structural and antiferromagnetic phase transitions in NaFe1−xCoxAs iron pnictides 

      Tan, Guotai; Song, Yu; Zhang, Chenglin; Lin, Lifang; Xu, Zhuang; Hou, Tingting; Tian, Wei; Cao, Huibo; Li, Shiliang; Feng, Shiping; Dai, Pengcheng (2016)
      We use transport and neutron diffraction to study the electronic phase diagram of NaFe1−xCoxAs. In the undoped state, NaFeAs exhibits a tetragonal-to-orthorhombic structural transition below Tsfollowed by a collinear ...
    • Correlations of crystallographic defects and anisotropy with magnetotransport properties in FexTaS2 single crystals (0.23≤x≤0.35) 

      Chen, Chih-Wei; Chikara, Shalinee; Zapf, Vivien S.; Morosan, E. (2016)
      Very large magnetoresistance discovered in single crystals of the ferromagnetic Fe-intercalated transition-metal dichalcogenide Fe0.28TaS2 was attributed to the deviation of the Fe concentration from commensurate values ...
    • Detecting the Biopolymer Behavior of Graphene Nanoribbons in Aqueous Solution 

      Wijeratne, Sithara S.; Penev, Evgeni S.; Lu, Wei; Li, Jingqiang; Duque, Amanda L.; Yakobson, Boris I.; Tour, James M.; Kiang, Ching-Hwa (2016)
      Graphene nanoribbons (GNR), can be prepared in bulk quantities for large-area applications by reducing the product from the lengthwise oxidative unzipping of multiwalled carbon nanotubes (MWNT). Recently, the biomaterials ...
    • Wafer-scale monodomain films of spontaneously aligned single-walled carbon nanotubes 

      He, Xiaowei; Gao, Weilu; Xie, Lijuan; Li, Bo; Zhang, Qi; Lei, Sidong; Robinson, John M.; Hároz, Erik H.; Doorn, Stephen K.; Wang, Weipeng; Vajtai, Robert; Ajayan, Pulickel M.; Adams, W. Wade; Hauge, Robert H.; Kono, Junichiro (2016)
      The one-dimensional character of electrons, phonons and excitons in individual single-walled carbon nanotubes leads to extremely anisotropic electronic, thermal and optical properties. However, despite significant efforts ...
    • Carbon nanotube fiber terahertz polarizer 

      Zubair, Ahmed; Tsentalovich, Dmitri E.; Young, Colin C.; Heimbeck, Martin S.; Everitt, Henry O.; Pasquali, Matteo; Kono, Junichiro (2016)
      Conventional, commercially available terahertz (THz) polarizers are made of uniformly and precisely spaced metallic wires. They are fragile and expensive, with performance characteristics highly reliant on wire diameters ...
    • Comparison study of ring current simulations with and without bubble injections 

      Yang, Jian; Toffoletto, Frank R.; Wolf, Richard A. (2016)
      For many years, stand-alone ring current models have been successfully producing storm time ring current enhancements without specifying explicit localized transient injections along their outer boundaries. However, both ...
    • Magnetic and Ising quantum phase transitions in a model for isoelectronically tuned iron pnictides 

      Wu, Jianda; Si, Qimiao; Abrahams, Elihu (2016)
      Considerations of the observed bad-metal behavior in Fe-based superconductors led to an early proposal for quantum criticality induced by isoelectronic P for As doping in iron arsenides, which has since been experimentally ...
    • Single-molecule force measurements of the polymerizing dimeric subunit of von Willebrand factor 

      Wijeratne, Sithara S.; Li, Jingqiang; Yeh, Hui-Chun; Nolasco, Leticia; Zhou, Zhou; Bergeron, Angela; Frey, Eric W.; Moake, Joel L.; Dong, Jing-fei; Kiang, Ching-Hwa (2016)
      Von Willebrand factor (VWF) multimers are large adhesive proteins that are essential to the initiation of hemostatic plugs at sites of vascular injury. The binding of VWF multimers to platelets, as well as VWF proteolysis, ...
    • High Chromaticity Aluminum Plasmonic Pixels for Active Liquid Crystal Displays 

      Olson, Jana; Manjavacas, Alejandro; Basu, Tiyash; Huang, Da; Schlather, Andrea E.; Zheng, Bob; Halas, Naomi; Nordlander, Peter; Link, Stephan (2016)
      Chromatic devices such as flat panel displays could, in principle, be substantially improved by incorporating aluminum plasmonic nanostructures instead of conventional chromophores that are susceptible to photobleaching. ...
    • Strain-Driven Approach to Quantum Criticality in AFe2As2 with A=K, Rb, and Cs 

      Eilers, Felix; Grube, Kai; Zocco, Diego A.; Wolf, Thomas; Merz, Michael; Schweiss, Peter; Heid, Rolf; Eder, Robert; Yu, Rong; Zhu, Jian-Xin; Si, Qimiao; Shibauchi, Takasada; Löhneysen, Hilbert v. (2016)
      The iron-based superconductors AFe2As2 with A=K, Rb, Cs exhibit large Sommerfeld coefficients approaching those of heavy-fermion systems. We have investigated the magnetostriction and thermal expansion of this series to ...
    • Notch-Jagged signalling can give rise to clusters of cells exhibiting a hybrid epithelial/mesenchymal phenotype 

      Boareto, Marcelo; Jolly, Mohit Kumar; Goldman, Aaron; Pietilä, Mika; Mani, Sendurai A.; Sengupta, Shiladitya; Ben-Jacob, Eshel; Levine, Herbert; Onuchic, José N. (2016)
      Metastasis can involve repeated cycles of epithelial-to-mesenchymal transition (EMT) and its reverse mesenchymal-to-epithelial transition. Cells can also undergo partial transitions to attain a hybrid epithelial/mesenchymal ...
    • Synthetic-gauge-field stabilization of the chiral-spin-liquid phase 

      Chen, Gang; Hazzard, Kaden R. A.; Rey, Ana Maria; Hermele, Michael (2016)
      We explore the phase diagram of the SU(N) Hubbard models describing fermionic alkaline-earth-metal atoms in a square optical lattice with, on average, one atom per site, using a slave rotor mean-field approach. We find ...