First-principles studies of multiferroic and magnetoelectric materials

YW Fang, HC Ding, WY Tong, WJ Zhu, X Shen… - Science Bulletin, 2015 - Elsevier
Multiferroics are materials where two or more ferroic orders coexist owing to the interplay
between spin, charge, lattice and orbital degrees of freedom. The explosive expansion of …

[HTML][HTML] Ferroelectric switching in epitaxial GeTe films

AV Kolobov, DJ Kim, A Giussani, P Fons, J Tominaga… - APL Materials, 2014 - pubs.aip.org
In this paper, using a resonance-enhanced piezoresponse force microscopy approach
supported by density functional theory computer simulations, we have demonstrated the …

A review of recent theoretical studies in nonlinear crystals: towards the design of new materials

E Luppi, V Veniard - Semiconductor Science and Technology, 2016 - iopscience.iop.org
Nonlinear optics is an important and exciting field of fundamental and applied research, with
applications in many different disciplines such as physics chemistry, material science and …

Effects of nonlocality on second-harmonic generation in bulk semiconductors

JL Cabellos, BS Mendoza, MA Escobar, F Nastos… - Physical Review B …, 2009 - APS
Calculations of the second-harmonic susceptibility tensor χ abc (− 2 ω; ω, ω) are presented
for bulk semiconductors within both the v⋅ A and the r⋅ E gauges. The description of the …

Optical properties of surfaces with supercell ab initio calculations: Local-field effects

N Tancogne-Dejean, C Giorgetti, V Véniard - Physical Review B, 2015 - APS
Surface optical and electronic properties are crucial for material science and have
implications in fields as various as nanotechnology, nonlinear optics, and spectroscopies. In …

Ga-do** effects on electronic and structural properties of wurtzite ZnO

CY Ren, SH Chiou, CS Hsue - Physica B: Condensed Matter, 2004 - Elsevier
The electronic properties of Ga-doped ZnO with wurtzite structures are studied using the
frozen-core projector augmented wave method based upon the density functional theory …

Optical properties of real surfaces from microscopic calculations of the dielectric function of finite atomic slabs

C Hogan, R Del Sole, G Onida - Physical Review B, 2003 - APS
We present a critical analysis of the procedures and approximations which are generally
used to obtain the optical properties of a real solid surface starting from microscopic …

Theory of surface second-harmonic generation for semiconductors including effects of nonlocal operators

SM Anderson, N Tancogne-Dejean, BS Mendoza… - Physical Review B, 2015 - APS
We formulate a theoretical approach of surface second-harmonic generation from
semiconductor surfaces based on the length gauge and the electron density operator. Within …

[LIBRO][B] Second order non-linear optics of silicon and silicon nanostructures

OA Aktsipetrov, IM Baranova, KN Evtyukhov - 2018 - taylorfrancis.com
The theory and practice of the non-linear optics of silicon are inextricably linked with a
variety of areas of solid state physics, particularly semiconductor physics. However, the …

Five-wave-mixing spectroscopy of ultrafast electron dynamics at a Si (001) surface

C Voelkmann, M Reichelt, T Meier, SW Koch, U Höfer - Physical review letters, 2004 - APS
The optically induced electron dynamics at a Si (001) surface is studied using a five-wave-
mixing setup which measures the diffracted second-harmonic intensity induced by three …