232 citations · 587 across the 11 of their papers we have counts for
11 papers
Gate controlled quantum interference: direct observation of anti-resonances in single molecule charge transport
Yueqi Li, Marius Buerkle, Guangfeng Li +8
Quantum interference can profoundly affect charge transport in single molecules, but experiments can usually measure only the conductance at the Fermi energy. Because in general th…
The effect of Ta oxygen scavenger layer on HfO-based resistive switching behavior: thermodynamic stability, electronic structure, and low-bias transport
X. Zhong, I. Rungger, P. Zapol +3
Reversible resistive switching between high-resistance and low-resistance states in metal-oxide-metal heterostructures makes them very interesting for applications in random access…
Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ
Raúl García, M. Ángeles Herranz, Edmund Leary +9
We describe the synthesis and single molecule electrical transport properties of a molecular wire containing a -extended tetrathiafulvalene (exTTF) group and its charge-transfer…
First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions
Marius Bürkle, Thomas J. Hellmuth, Fabian Pauly +1
Here we present a theoretical study of the thermoelectric transport through {[}2,2{]}para\-cyclo\-phane-based single-molecule junctions. Combining electronic and vibrational struct…
Heat dissipation and its relation to thermopower in single-molecule junctions
Linda Angela Zotti, Marius Bürkle, Fabian Pauly +6
Motivated by recent experiments [Lee et al. Nature 498, 209 (2013)], we present here a detailed theoretical analysis of the Joule heating in current-carrying single-molecule juncti…
Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets
Tohru Kawamoto, Yoshihiro Asai, Shuji Abe
A novel microscopic mechanism of bi-directional structural changes is proposed for the photo-induced magnetic phase transition in Co-Fe Prussian blue analogues on the basis of ab i…
The ground state of the two-dimensional Hubbard model
Yoshihiro ASAI
We have studied the ground state of the two-dimensional Hubbard model by using the adaptive sampling quantum monte carlo method. We found enhancement of the d-wave correlation func…
Coupled-Cluster Approach to Electron Correlations in the Two-Dimensional Hubbard Model
Yoshihiro Asai, Hideki Katagiri
We have studied electron correlations in the doped two-dimensional (2D) Hubbard model by using the coupled-cluster method (CCM) to investigate whether or not the method can be appl…
The Ground and Low Lying Excited States of the Two-Dimensional Hubbard Model
Yoshihiro ASAI
We have studied the ground state of the two-dimensional (2D) Hubbard model by using a quantum monte method paying special attention to the shell structure effect on finite size clu…
Adaptive Sampling Approach to the Negative Sign Problem in the Auxiliary Field Quantum Monte Carlo Method
Yoshihiro ASAI
We propose a new sampling method to calculate the ground state of interacting quantum systems. This method, which we call the adaptive sampling quantum monte carlo (ASQMC) method u…
Superconducting, magnetic, and charge correlations in the doped two-chain Hubbard model
Yoshihiro Asai
Superconducting, magnetic, and charge correlation functions and dynamic spin correlation functions of the doped two-chain Hubbard model is studied with the projector Quantum Monte…