SnP2S6: A Promising Infrared Nonlinear Optical Crystal with Strong Nonresonant Second Harmonic Generation and Phase-Matchability

Inversion symmetry broken 2D SnP2S6 with strong nonlinear optical response

(2021) Yue Zhang et al.   Nano Research

ABINIT: Overview and focus on selected capabilities

(2020) Aldo H. Romero et al.   JOURNAL OF CHEMICAL PHYSICS

Searching for materials with high refractive index and wide band gap: A first-principles high-throughput study

(2019) Francesco Naccarato et al.   PHYSICAL REVIEW MATERIALS

The Abinitproject: Impact, environment and recent developments

(2019) Xavier Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

The PseudoDojo : Training and grading a 85 element optimized norm-conserving pseudopotential table

(2018) M.J. van Setten et al.   COMPUTER PHYSICS COMMUNICATIONS

Recent developments in the ABINIT software package

(2016) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis

(2015) Lei Kang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Optimized norm-conserving Vanderbilt pseudopotentials

(2013) D. R. Hamann   PHYSICAL REVIEW B

Understanding intermediate-band solar cells

(2012) Antonio Luque et al.   Nature Photonics

Coherence properties of a broadband femtosecond mid-IR optical parametric oscillator operating at degeneracy

(2012) Alireza Marandi et al.   OPTICS EXPRESS

Probing Ferroelectrics Using Optical Second Harmonic Generation

(2011) Sava A. Denev et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS