1. Ab initio study on physical properties of wurtzite, zincblende, and rocksalt structures of zinc oxide using revised functionals. (March 2015) Authors: Kuang, Fang-Guang; Kuang, Xiao-Yu; Kang, Shu-Ying; Zhong, Ming-Min; Sun, Xiao-Wei Journal: Materials science in semiconductor processing Issue: Volume 31(2015:Mar.) Page Start: 700 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Accurate calculations of the high-pressure elastic constants based on the first-principles *Project supported by the National Natural Science Foundation of China (Grant No. 11274235), the Young Scientist Fund of the National Natural Science Foundation of China (Grant No. 11104190), and the Doctoral Education Fund of Education Ministry of China (Grant Nos. 20100181110086 and 20110181120112). (August 2015) Authors: Wang, Chen-Ju; Gu, Jian-Bing; Kuang, Xiao-Yu; Yang, Xiang-Dong Journal: Chinese physics B Issue: Volume 24:Number 8(2015:Aug.) Page Start: 307 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Comparing hydrostatic-pressure- and epitaxial-strain-induced phase transitions in multiferroic PbNiO3 from first principles. (February 2015) Authors: Tian, Hao; Kuang, Xiao-Yu; Mao, Ai-Jie; Zhao, Hong-Jian; Li, Hui; Kuang, Fang-Guang Journal: Solid state communications Issue: Volume 203(2015) Page Start: 75 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Correction: Semiconductor-to-metal reconstructive phase transition and superconductivity of anti-perovskite Ca3PN under hydrostatic pressure. Issue 37 (18th September 2020) Authors: Cheng, Hao; Mao, Ai-Jie; Yang, Si-Min; Tian, Hao; Jin, Si-Yu; Yu, Miao; Kuang, Xiao-Yu Journal: Journal of materials chemistry Issue: Volume 8:Issue 37(2020) Page Start: 13090 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Exploration of stable stoichiometries, physical properties and hardness in the Rh–Si system: a first-principles study1. Issue 66 (19th July 2015) Authors: Wang, Jing-Jing; Hermann, Andreas; Kuang, Xiao-Yu; Jin, Yuan-Yuan; Lu, Cheng; Zhang, Chuan-Zhao; Ju, Meng; Si, Meng-Ting; Iitaka, Toshiaki Journal: RSC advances Issue: Volume 5:Issue 66(2015) Page Start: 53497 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Hydrostatic pressure induced structural phase transition and mechanical properties of fluoroperovskite. (1st October 2019) Authors: Cheng, Hao; Mao, Ai-Jie; Cheng, Xiao-Rong; Tian, Hao; Dou, Xi-Long; Yang, Si-Min; Kuang, Xiao-Yu Journal: Journal of physics Issue: Volume 31:Number 50(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Large polarization and dielectric response in epitaxial SrZrO3 films. Issue 11 (24th February 2016) Authors: Tian, Hao; Mao, Ai-Jie; Zhao, Hong Jian; Cui, Yingqi; Li, Hui; Kuang, Xiao-Yu Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 11(2016) Page Start: 7680 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Prediction of hypervalent molecules: investigation on MnC (M = Li, Na, K, Rb and Cs; n = 1–8) clusters. Issue 37 (10th August 2017) Authors: Shao, Peng; Chen, Bo-Le; Ding, Li Ping; Luo, Dao-Bin; Lu, Cheng; Kuang, Xiao-Yu Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 37(2017) Page Start: 25289 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Pressure effect on the properties of magnetic moments and phase transitions in YMnO3 from first principles. Issue 59 (3rd June 2016) Authors: Chai, Jun-Shuai; Tian, Hao; Mao, Ai-Jie; Deng, Li-Juan; Kuang, Xiao-Yu Journal: RSC advances Issue: Volume 6:Issue 59(2016) Page Start: 54041 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Pressure-induced reconstructive phase transitions, polarization with metallicity, and enhanced hardness in antiperovskite MgCNi3. Issue 33 (17th August 2021) Authors: Cui, Yingqi; Cheng, Hao; Tian, Hao; Li, Chenggang; Tang, Yanan; Mao, Ai-Jie; Kuang, Xiao-Yu Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 33(2021) Page Start: 18221 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗