Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

Prediction of a metastable phase of silicon in theIbamstructure

(2012) Brad D. Malone et al.   PHYSICAL REVIEW B

In situobservation of the indentation-induced phase transformation of silicon thin films

(2012) Y. B. Gerbig et al.   PHYSICAL REVIEW B

High-Pressure Structures of Disilane and Their Superconducting Properties

(2012) José A. Flores-Livas et al.   PHYSICAL REVIEW LETTERS

Genetic-Algorithm Discovery of a Direct-Gap and Optically Allowed Superstructure from Indirect-Gap Si and Ge Semiconductors

(2012) Mayeul d’Avezac et al.   PHYSICAL REVIEW LETTERS

Crystal Structure of Cold Compressed Graphite

(2012) Maximilian Amsler et al.   PHYSICAL REVIEW LETTERS

Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods

(2011) Silvana Botti et al.   APPLIED PHYSICS LETTERS

The Consequences of Kesterite Equilibria for Efficient Solar Cells

(2011) Alex Redinger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Compensation-doped silicon for photovoltaic applications

(2011) Georgy Samsonidze et al.   PHYSICAL REVIEW B

First-principles study of the band structure and optical absorption of CuGaS2

(2011) Irene Aguilera et al.   PHYSICAL REVIEW B

Superhardsp3carbon allotropes with odd and even ring topologies

(2011) Daniele Selli et al.   PHYSICAL REVIEW B

Evolutionary search for superhard materials: Methodology and applications to forms of carbon and TiO2

(2011) Andriy O. Lyakhov et al.   PHYSICAL REVIEW B

Novel Superhard Carbon: C-Centered OrthorhombicC8

(2011) Zhisheng Zhao et al.   PHYSICAL REVIEW LETTERS

High-Efficiency Solar Cell with Earth-Abundant Liquid-Processed Absorber

(2010) Teodor K. Todorov et al.   ADVANCED MATERIALS

Crystal structure prediction using the minima hopping method

(2010) Maximilian Amsler et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic state and momentum matrix of H-passivated silicon nanonets: A first-principles calculation

(2010) DeXing Li et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Electronic and optical properties of body-centered-tetragonal Si and Ge

(2010) Brad D. Malone et al.   PHYSICAL REVIEW B

Structural metastability of endohedral silicon fullerenes

(2010) Alex Willand et al.   PHYSICAL REVIEW B

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Strong Interplay between Structure and Electronic Properties inCuIn(S,Se)2: A First-Principles Study

(2010) Julien Vidal et al.   PHYSICAL REVIEW LETTERS

Annealing of nanoindentation-induced high pressure crystalline phases created in crystalline and amorphous silicon

(2009) S. Ruffell et al.   JOURNAL OF APPLIED PHYSICS

A Minima Hopping Study of All-Atom Protein Folding and Structure Prediction

(2009) Shantanu Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure of large gold clusters obtained by global optimization using the minima hopping method

(2009) Kuo Bao et al.   PHYSICAL REVIEW B

Superhard Monoclinic Polymorph of Carbon

(2009) Quan Li et al.   PHYSICAL REVIEW LETTERS

Computational design of silicon-based direct-band gap nanostructure: Silicon nanonet

(2008) D. X. Li et al.   APPLIED PHYSICS LETTERS

Exciton spectra and energy band structure of CuGaSe2 single crystals

(2008) S Levchenko et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

A new crystalline phase of four-fold coordinated silicon and germanium

(2008) Yoshitaka Fujimoto et al.   NEW JOURNAL OF PHYSICS

Ab initiosurvey of the electronic structure of tetrahedrally bonded phases of silicon

(2008) Brad D. Malone et al.   PHYSICAL REVIEW B

AccurateGWself-energies in a plane-wave basis using only a few empty states: Towards large systems

(2008) Fabien Bruneval et al.   PHYSICAL REVIEW B

Ab initiostudy of the optical properties of Si-XII

(2008) Brad D. Malone et al.   PHYSICAL REVIEW B

19·9%-efficient ZnO/CdS/CuInGaSe2solar cell with 81·2% fill factor

(2008) Ingrid Repins et al.   PROGRESS IN PHOTOVOLTAICS