Electronic Properties, Screening, and Efficient Carrier Transport in NaSbS2

Dielectric and Thermodynamic Signatures of Low-Temperature Glassy Dynamics in the Hybrid Perovskites CH3NH3PbI3 and HC(NH2)2PbI3

(2016) Douglas H. Fabini et al.   Journal of Physical Chemistry Letters

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials

(2016) Saikat Mukhopadhyay et al.   Scientific Reports

Novel ternary sulfide thermoelectric materials from high throughput transport and defect calculations

(2016) Sandip Bhattacharya et al.   Journal of Materials Chemistry A

Toward Lead-Free Perovskite Solar Cells

(2016) Feliciano Giustino et al.   ACS Energy Letters

Crystal and Electronic Structures of Complex Bismuth Iodides A3Bi2I9 (A = K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics

(2015) Anna J. Lehner et al.   CHEMISTRY OF MATERIALS

Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites

(2015) Riley E. Brandt et al.   MRS Communications

Efficient carrier transport in halide perovskites: theoretical perspectives

(2014) M. H. Du   Journal of Materials Chemistry A

Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber

(2013) S. D. Stranks et al.   SCIENCE

Electronic structure and defect properties of Tl6SeI4: Density functional calculations

(2012) Koushik Biswas et al.   PHYSICAL REVIEW B

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

(2012) M. M. Lee et al.   SCIENCE

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

The path towards a high-performance solution-processed kesterite solar cell

(2011) David B. Mitzi et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Epitaxial SrTiO3 films with electron mobilities exceeding 30,000 cm2 V−1 s−1

(2010) Junwoo Son et al.   NATURE MATERIALS

Enhanced Born charge and proximity to ferroelectricity in thallium halides

(2010) Mao-Hua Du et al.   PHYSICAL REVIEW B

Enhanced Born charges in III-VII,IV-VII2, andV-VII3compounds

(2010) Mao-Hua Du et al.   PHYSICAL REVIEW B

Towards efficient band structure and effective mass calculations for III-V direct band-gap semiconductors

(2010) Yoon-Suk Kim et al.   PHYSICAL REVIEW B

Structure and optical properties of high light output halide scintillators

(2010) David J. Singh   PHYSICAL REVIEW B

Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional

(2010) David J. Singh   PHYSICAL REVIEW B

Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights

(2009) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

Defects in ZnO

(2009) M. D. McCluskey et al.   JOURNAL OF APPLIED PHYSICS

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

(2009) Akihiro Kojima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS