190 citations · 924 across the 25 of their papers we have counts for
25 papers
Phase-Space Ab-Initio Direct and Reverse Ballistic-Electron Emission Spectroscopy: Schottky Barriers Determination for Au/Ge(100)
Andrea Gerbi, Renato Buzio, Cesar Gonzalez +2
We develop a phase-space ab-initio formalism to compute Ballistic Electron Emission Spectroscopy current-voltage I(V)'s in a metal-semiconductor interface. We consider injection of…
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…
Electron transport signature of H dissociation on atomic gold wires
Alexandre Zanchet, Anaís Dorta-Urra, Octavio Roncero +4
Non-equilibrium Green's functions calculations based on density functional theory show a direct link between the initial stages of H dissociation on a gold atomic wire and the…
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…