Role of spin–orbit interaction on the nonlinear optical response of CsPbCO3F using DFT

Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material

(2016) Min Luo et al.   CHEMISTRY OF MATERIALS

Deep Ultraviolet Nonlinear Optical Materials

(2016) T. Thao Tran et al.   CHEMISTRY OF MATERIALS

Design and Syntheses of Three Novel Carbonate Halides: Cs3 Pb2 (CO3 )3 I, KBa2 (CO3 )2 F, and RbBa2 (CO3 )2 F

(2016) Lili Liu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis

(2016) Qun Jing et al.   JOURNAL OF SOLID STATE CHEMISTRY

Synthesis and characterization of CsSrCO3F – a beryllium-free new deep-ultraviolet nonlinear optical material

(2016) Qingfei Li et al.   NEW JOURNAL OF CHEMISTRY

Crystal growth and optical characteristics of beryllium-free polyphosphate, KLa(PO3)4, a possible deep-ultraviolet nonlinear optical crystal

(2016) Pai Shan et al.   Scientific Reports

Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series

(2015) Guangsai Yang et al.   CHEMISTRY OF MATERIALS

Recent advances on second-order NLO materials based on metal iodates

(2015) Chun-Li Hu et al.   COORDINATION CHEMISTRY REVIEWS

K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures

(2015) Yuan Lin et al.   INORGANIC CHEMISTRY

Pb7O(OH)3(CO3)3(BO3): First Mixed Borate and Carbonate Nonlinear Optical Material Exhibiting Large Second-Harmonic Generation Response

(2015) Maierhaba Abudoureheman et al.   INORGANIC CHEMISTRY

RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material

(2015) T. Thao Tran et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New perspectives for Rashba spin–orbit coupling

(2015) A. Manchon et al.   NATURE MATERIALS

ACdCO3F (A = K and Rb): new noncentrosymmetric materials with remarkably strong second-harmonic generation (SHG) responses enhanced via π-interaction

(2015) Guohong Zou et al.   RSC Advances

Sodium–rare earth carbonates with shorite structure and large second harmonic generation response

(2014) Min Luo et al.   CRYSTENGCOMM

Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials

(2014) Min Luo et al.   INORGANIC CHEMISTRY

Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F

(2014) T. Thao Tran et al.   INORGANIC CHEMISTRY

Development of nonlinear optical materials promoted by density functional theory simulations

(2014) Xingxing Jiang et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

First Principle Assisted Prediction of the Birefringence Values of Functional Inorganic Borate Materials

(2014) Qiang Bian et al.   Journal of Physical Chemistry C

First-principles materials applications and design of nonlinear optical crystals

(2014) Zheshuai Lin et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Structural, electronic and optical properties of novel carbonate fluorides ABCO3F (A=K, Rb, Cs; B=Ca, Sr)

(2014) E. Narsimha Rao et al.   JOURNAL OF SOLID STATE CHEMISTRY

Synthesis, Crystal Structure, and Optical Properties of a New Sodium-Cadmium Carbonate Na4Cd3(CO3)4(OH)2

(2014) Jie Chen et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3

(2013) T. Thao Tran et al.   INORGANIC CHEMISTRY

Prospects for Fluoride Carbonate Nonlinear Optical Crystals in the UV and Deep-UV Regions

(2013) Lei Kang et al.   Journal of Physical Chemistry C

CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p−π Interaction

(2013) Guohong Zou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Two novel nonlinear optical carbonates in the deep-ultraviolet region: KBeCO3F and RbAlCO3F2

(2013) Lei Kang et al.   Scientific Reports

Photoreduction of Graphene Oxides: Methods, Properties, and Applications

(2013) Yong-Lai Zhang et al.   Advanced Optical Materials

First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained Bi2Se3and Bi2Te3including van der Waals interactions

(2012) Xin Luo et al.   PHYSICAL REVIEW B

Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials

(2011) Guohong Zou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigation of the Linear and Nonlinear Optical Susceptibilities of KTiOPO4Single Crystals: Theory and Experiment

(2010) Ali Hussain Reshak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Basic nanosystems of early 4d and 5d transition metals: Electronic properties and the effect of spin-orbit interaction

(2008) Anu Bala et al.   JOURNAL OF APPLIED PHYSICS

Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead

(2008) Matthieu J. Verstraete et al.   PHYSICAL REVIEW B