Papers citing First-principles materials applications and design of nonlinear optical crystals
Optical and magnetic properties of Ba 5 (BO 3 ) 3 F single crystals
Physical Chemistry Chemical Physics · 2014
Alexander Yèlisseyev, Xingxing Jiang, V. P. Solntsev, Tatyana B. Bekker, Zheshuai Lin
Read original paper ↗ ·Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric–Nonpolar Materials
Chemistry of Materials · 2014
Antonio Cammarata, Weiguo Zhang, P. Shiv Halasyamani, James M. Rondinelli
Read original paper ↗ ·Development of nonlinear optical materials promoted by density functional theory simulations
International Journal of Modern Physics B · 2014
Xingxing Jiang, Lei Kang, Siyang Luo, Pifu Gong, Ming‐Hsien Lee, Zheshuai Lin
Read original paper ↗ ·Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives
CrystEngComm · 2014
Xinyuan Zhang, Xingxing Jiang, Yin Li, Zheshuai Lin, Guochun Zhang, Yicheng Wu
Read original paper ↗ ·Contribution of lone-pairs to birefringence affected by the Pb( ii ) coordination environment: a DFT investigation
Physical Chemistry Chemical Physics · 2015
Qun Jing, Zhihua Yang, Shilie Pan, Dongfeng Xue
Read original paper ↗ ·Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na 3 VO 2 B 6 O 11
Physical Chemistry Chemical Physics · 2015
Xin Su, Zhihua Yang, Ming‐Hsien Lee, Shilie Pan, Ying Wang, Xiaoyun Fan, Zhenjun Huang, Bingbing Zhang
Read original paper ↗ ·Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge
Angewandte Chemie International Edition · 2015
Sangen Zhao, Pifu Gong, Siyang Luo, Lei Bai, Zheshuai Lin, Yuan‐Yuan Tang, Yuelan Zhou, Maochun Hong, Junhua Luo
Read original paper ↗ ·Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge
Angewandte Chemie · 2015
Sangen Zhao, Pifu Gong, Siyang Luo, Lei Bai, Zheshuai Lin, Yuan‐Yuan Tang, Yuelan Zhou, Maochun Hong, Junhua Luo
Read original paper ↗ ·Predicting and Designing Optical Properties of Inorganic Materials
Annual Review of Materials Research · 2015
James M. Rondinelli, Emmanouil Kioupakis
Read original paper ↗ ·The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb)
Chemical Physics · 2015
Qun Jing, Xiaoyu Dong, Xinglong Chen, Zhihua Yang, Shilie Pan, Lei Chen
Read original paper ↗ ·Thermal and electrical studies on solution grown barium thiourea chloride single crystals
Materials Research Innovations · 2015
S. Raju, S. Kanagathara, D. Rajan Babu, R. Muralidharan, Harihara Krishnan
Read original paper ↗ ·Electronic structure, magnetic and optical properties of the Ba7(BO3)4−F2+3 crystal
Journal of Solid State Chemistry · 2015
P. Yelisseyev, V. P. Solntsev, Xingxing Jiang, Tatyana B. Bekker, Zheshuai Lin, П. П. Федоров
Read original paper ↗ ·First-Principles Evaluation of the Alkali and/or Alkaline Earth Beryllium Borates in Deep Ultraviolet Nonlinear Optical Applications
ACS Photonics · 2015
Xingxing Jiang, Siyang Luo, Lei Kang, Pifu Gong, Hongwei Huang, Shichao Wang, Zheshuai Lin, Chuangtian Chen
Read original paper ↗ ·Negative linear compressibility in a crystal of α-BiB3O6
Scientific Reports · 2015
Lei Kang, Xingxing Jiang, Siyang Luo, Pifu Gong, Wei Li, Xiang Xia Wu, Yanchun Li, Xiaodong Li, Chuangtian Chen, Zheshuai Lin
Read original paper ↗ ·Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis
Journal of the American Chemical Society · 2015
Lei Kang, Molin Zhou, Jiyong Yao, Zheshuai Lin, Yicheng Wu, Chuangtian Chen
Read original paper ↗ ·First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2
Inorganic Chemistry · 2015
Lei Kang, Siyang Luo, Guang Peng, Ning Ye, Yicheng Wu, Chuangtian Chen, Zheshuai Lin
Read original paper ↗ ·Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials
RSC Advances · 2016
Dianwei Hou, Bing‐Hua Lei, Shilie Pan, Bingbing Zhang, Zhihua Yang
Read original paper ↗ ·Pb 2 Bi 2 GaB 3 O 11 , a new congruent-melting galloborate containing two types of asymmetric cations with a moderate birefringence
Dalton Transactions · 2016
Lili Liu, Yun Mo Yang, Linping Li, Zhihua Yang, Shilie Pan
Read original paper ↗ ·The mechanism of the area negative thermal expansion in KBe2BO3F2 family crystals: A first-principles study
Journal of Applied Physics · 2016
Xingxing Jiang, Мaxim S. Моlokeev, Wei Li, Shaofan Wu, Zheshuai Lin, Yicheng Wu, Chuangtian Chen
Read original paper ↗ ·Effect of the [Ba 2 BO 3 F] ∞ Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn 2 B 2 O 6 · n Ba 2 BO 3 F ( n = 0, 1, 2)
Inorganic Chemistry · 2016
Hongping Wu, Xin Su, Shujuan Han, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Boosting computational capabilities
Nature Materials · 2016
Hai‐Qing Lin
Read original paper ↗ ·Deep Ultraviolet Nonlinear Optical Materials
Chemistry of Materials · 2016
T. Thao Tran, Hongwei Yu, James M. Rondinelli, Kenneth Reinhard Poeppelmeier, P. Shiv Halasyamani
Read original paper ↗ ·K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structure
The Journal of Physical Chemistry C · 2016
Lili Liu, Yun Mo Yang, Qun Jing, Xiaoyu Dong, Zhihua Yang, Shilie Pan, Kui Wu
Read original paper ↗ ·Deep-Ultraviolet Transparent Cs 2 LiPO 4 Exhibits an Unprecedented Second Harmonic Generation
Chemistry of Materials · 2016
Yaoguo Shen, Yi Jin Yang, Sangen Zhao, Bingqing Zhao, Zheshuai Lin, Chengmin Ji, Lina Li, Ping Fu, Maochun Hong, Junhua Luo
Read original paper ↗ ·First-principles studies of the Optical anisotropy of R3 space group chalcogenides crystal AX2MQ6
arXiv (Cornell University) · 2016
Ju‐Song Yu, Hua Lin, Yujun Zheng, Li‐Ming Wu
Read original paper ↗ ·Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications
Scientific Reports · 2016
Qiang Bian, Zhihua Yang, Ying Wang, Chao Cao, Shilie Pan
Read original paper ↗ ·A review of recent theoretical studies in nonlinear crystals: towards the design of new materials
Semiconductor Science and Technology · 2016
Eleonora Luppi, Valérie Vëniard
Read original paper ↗ ·AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures
Chemistry of Materials · 2016
Guangsai Yang, Pifu Gong, Zheshuai Lin, Ning Ye
Read original paper ↗ ·Na2B6O9F2: A Fluoroborate with Short Cutoff Edge and Deep-Ultraviolet Birefringent Property Prepared by an Open High-Temperature Solution Method
Inorganic Chemistry · 2016
Guoqiang Q. Shi, Fangfang Zhang, Bingbing Zhang, Dianwei Hou, Xinglong Chen, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Collaborative enhancement from Pb 2+ and F − in Pb 2 (NO 3 ) 2 (H 2 O)F 2 generates the largest second harmonic generation effect among nitrates
Chemical Communications · 2017
Guang Peng, Yi Jin Yang, Yu‐Huan Tang, Min Luo, Tao Yan, Yuqiao Zhou, Chensheng Lin, Zheshuai Lin, Ning Ye
Read original paper ↗ ·Lithium borate Li 3 B 5 O 8 (OH) 2 with large second harmonic generation and a high damage threshold in the deep-ultraviolet spectral range
Physical Chemistry Chemical Physics · 2017
A.H. Reshak
Read original paper ↗ ·Role of spin–orbit interaction on the nonlinear optical response of CsPbCO 3 F using DFT
Physical Chemistry Chemical Physics · 2017
E. Narsimha Rao, G. Vaitheeswaran, A.H. Reshak, S. Auluck
Read original paper ↗ ·Structure comparison and optical properties of Na 7 Mg 4.5 (P 2 O 7 ) 4 : a sodium magnesium phosphate with isolated P 2 O 7 units
New Journal of Chemistry · 2017
Ruru Ma, Yun Mo Yang, Shilie Pan, Yanzhou Sun, Zhihua Yang
Read original paper ↗ ·Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 2
Dalton Transactions · 2017
Pengfei Liu, Yanyan Li, Yujun Zheng, Ju‐Song Yu, Ruihuan Duan, Hong Chen, Hua Lin, Ling Chen, Li‐Ming Wu
Read original paper ↗ ·The activity of lone pair contributing to SHG response in bismuth borates: a combination investigation from experiment and DFT calculation
Physical Chemistry Chemical Physics · 2017
Cong Hu, Miriding Mutailipu, Ying Wang, Fengjiao Guo, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems
Chemistry of Materials · 2017
Yunxia Song, Min Luo, Chensheng Lin, Ning Ye
Read original paper ↗ ·M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications
Chemistry of Materials · 2017
Hongwei Yu, Joshua Young, Hongping Wu, Weiguo Zhang, James M. Rondinelli, P. Shiv Halasyamani
Read original paper ↗ ·Electronic, bond order, linear optical properties of series of alkalimetal P-O-P linkage borophosphates
Journal of Alloys and Compounds · 2017
Dianwei Hou, Zhihua Yang, Shilie Pan
Read original paper ↗ ·First-principles calculations and re-analysis of optical spectra and electron paramagnetic resonance parameters for Yb3+ in YAl3(BO3)4 crystal
Journal of Rare Earths · 2017
Bang-Xing Li, Chi‐Fai Leung, Yau Yuen Yeung
Read original paper ↗ ·First-Principles Assisted Prediction of the Nonlinear Optical Behavior of Mg3B7O13Cl Crystal
Journal of the Physical Society of Japan · 2017
Yanzhou Sun, Zhi Li, Ming‐Hsien Lee, Zhihua Yang, Shilie Pan, Sadeh Beysen
Read original paper ↗ ·Structure and Optical Properties of K0.67Rb1.33Al2B2O7 Crystal
Crystals · 2017
Qian Huang, Lijuan Liu, Mingjun Xia, Yi Jin Yang, Shu Hai Guo, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen
Read original paper ↗ ·Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal
Scientific Reports · 2017
A.H. Reshak
Read original paper ↗ ·CaCoSO diluted magnetic antiferromagnet semiconductor as efficient thermoelectric materials
Materials Research Bulletin · 2017
A.H. Reshak
Read original paper ↗ ·Molecular Construction Using (C3N3O3)3– Anions: Analysis and Prospect for Inorganic Metal Cyanurates Nonlinear Optical Materials
Crystal Growth & Design · 2017
Fei Liang, Lei Kang, Xinyuan Zhang, Ming‐Hsien Lee, Zheshuai Lin, Yicheng Wu
Read original paper ↗ ·Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides
Chemistry - A European Journal · 2017
Lili Liu, Yun Mo Yang, Junben Huang, Xiaoyu Dong, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Novel borate CsZn2B3O7 single crystal with large efficient second harmonic generation in deep-ultraviolet spectral range
Journal of Alloys and Compounds · 2017
A.H. Reshak
Read original paper ↗ ·A New KBBF-Family Nonlinear Optical Material with Strong Interlayer Bonding
Crystal Growth & Design · 2017
Yaoguo Shen, Sangen Zhao, Yi Jin Yang, Liling Cao, Zujian Wang, Bingqing Zhao, Zhihua Sun, Zheshuai Lin, Junhua Luo
Read original paper ↗ ·Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response
Chemistry of Materials · 2017
Molin Zhou, Yi Jin Yang, Yangwu Guo, Zheshuai Lin, Jiyong Yao, Yicheng Wu, Chuangtian Chen
Read original paper ↗ ·Selective enhancement of optical nonlinearity in two-dimensional organic-inorganic lead iodide perovskites
Nature Communications · 2017
Felix O. Saouma, Constantinos C. Stoumpos, J. Wong, Mercouri G. Kanatzidis, Joon Ik Jang
Read original paper ↗ ·Hybridized plasmons in graphene nanorings for extreme nonlinear optics
Optical Materials · 2017
Burak Gerislioglu, Arash Ahmadivand, Nezih Pala
Read original paper ↗ ·