Browsing by Author "Tritsaris, Georgios"

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Ab initiotight-binding Hamiltonian for transition metal dichalcogenides

Fang, Shiang; Kuate Defo, Rodrick; Shirodkar, Sharmila N.; Lieu, Simon; Tritsaris, Georgios; Kaxiras, Efthimios (American Physical Society (APS), 2015)

We present an accurate ab initio tight-binding Hamiltonian for the transition metal dichalcogenides, MoS2, MoSe2, WS2, WSe2, with a minimal basis (the d orbitals for the metal atoms and p orbitals for the chalcogen atoms) ...
Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study

Tritsaris, Georgios; Mathioudakis, Christos; Kelires, Pantelis C.; Kaxiras, Efthimios (AIP Publishing, 2012)

A tough material commonly used in coatings is diamond-like carbon (DLC), that is, amorphous carbon with content in four-fold coordinated C higher than ∼70%, and its composites with metal inclusions. This study aims to offer ...
Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study

Tritsaris, Georgios; Malone, Brad D.; Kaxiras, Efthimios (AIP Publishing, 2013)

SnS is a metal monochalcogenide suitable for use as absorber material in thin film photovoltaic cells. Its structure is an orthorhombic crystal of weakly coupled layers, each layer consisting of strongly bonded Sn-S units. ...