Structural Phase Transition and Material Properties of Few-Layer Monochalcogenides

Two-Dimensional Disorder in Black Phosphorus and Monochalcogenide Monolayers

(2016) Mehrshad Mehboudi et al.   NANO LETTERS

Intrinsic Ferroelasticity and/or Multiferroicity in Two-Dimensional Phosphorene and Phosphorene Analogues

(2016) Menghao Wu et al.   NANO LETTERS

Designing Isoelectronic Counterparts to Layered Group V Semiconductors

(2015) Zhen Zhu et al.   ACS Nano

Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

(2015) Ruixiang Fei et al.   APPLIED PHYSICS LETTERS

Systematic pseudopotentials from reference eigenvalue sets for DFT calculations

(2015) Pablo Rivero et al.   COMPUTATIONAL MATERIALS SCIENCE

The anharmonicity blacksmith

(2015) Joseph P. Heremans   Nature Physics

Orbitally driven giant phonon anharmonicity in SnSe

(2015) C. W. Li et al.   Nature Physics

Enhanced piezoelectricity and modified dielectric screening of two-dimensional group-IV monochalcogenides

(2015) Lídia C. Gomes et al.   PHYSICAL REVIEW B

Phosphorene analogues: Isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure

(2015) Lídia C. Gomes et al.   PHYSICAL REVIEW B

Quantitative Chemistry and the Discrete Geometry of Conformal Atom-Thin Crystals

(2014) Alejandro A. Pacheco Sanjuan et al.   ACS Nano

Computational prediction of two-dimensional group-IV mono-chalcogenides

(2014) Arunima K. Singh et al.   APPLIED PHYSICS LETTERS

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

(2014) J Ferrer et al.   NEW JOURNAL OF PHYSICS

Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional

(2014) Kristian Berland et al.   PHYSICAL REVIEW B

Stability and properties of high-buckled two-dimensional tin and lead

(2014) Pablo Rivero et al.   PHYSICAL REVIEW B

Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study

(2013) Georgios A. Tritsaris et al.   JOURNAL OF APPLIED PHYSICS

Unfolding method for first-principles LCAO electronic structure calculations

(2013) Chi-Cheng Lee et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effective Band Structure of Random Alloys

(2010) Voicu Popescu et al.   PHYSICAL REVIEW LETTERS