177 citations · 492 across the 15 of their papers we have counts for
14 papers
Evidence for chiral superconductivity on a silicon surface
F. Ming, X. Wu, C. Chen +9
Sn adatoms on a Si(111) substrate with 1/3 monolayer coverage form a two-dimensional triangular adatom lattice with one unpaired electron per site and an antiferromagnetic Mott ins…
Coupled Sublattice Melting and Charge-Order Transition in Two Dimensions
Tyler S. Smith, Fangfei Ming, Daniel González Trabada +5
Two-dimensional melting is one of the most fascinating and poorly understood phase transitions in nature. Theoretical investigations often point to a two-step melting scenario invo…
Chemical interaction, space-charge layer and molecule charging energy for metal oxide / organic interfaces
José I. Martínez, Fernando Flores, José Ortega +3
Three driving forces control the energy level alignment between transition-metal oxides and organic materials: the chemical interaction between the two materials, the organic elect…
Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
Vladmír Zobač, James P. Lewis, Enrique Abad +4
The computational simulation of photo-induced processes in large molecular systems is a very challenging problem. Here, we present a detailed description of our implementation of a…
Barrier Height Formation in Organic Blends / Metal Interfaces: Case of (TTF-TCNQ) / Au(111)
Jose Ignacio Martinez, Enrique Abad, Juan Beltran +2
The interface between the tetrathiafulvalene / tetracyanoquinodimethane (TTFTCNQ) organic blend and the Au(111) metal surface is analyzed by Density Functional Theory calculations,…
Energy Level Alignment in Organic-Organic Heterojunctions: The TTF-TCNQ Interface
Juan I. Beltrán, Fernando Flores, José I. Martínez +1
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction…