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Zhang, Gangtai, Zhao, Yaru, Bai, Tingting, Wei, Qun, Yuan, Yuquan (2016) A new hard phase and physical properties of Tc2C predicted from first principles. RSC Advances, 6 (70). 66066-66073 doi:10.1039/c6ra11786d

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Reference TypeJournal (article/letter/editorial)
TitleA new hard phase and physical properties of Tc2C predicted from first principles
JournalRSC Advances
AuthorsZhang, GangtaiAuthor
Zhao, YaruAuthor
Bai, TingtingAuthor
Wei, QunAuthor
Yuan, YuquanAuthor
Year2016Volume6
Issue70
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c6ra11786dSearch in ResearchGate
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Mindat Ref. ID8113488Long-form Identifiermindat:1:5:8113488:7
GUID0
Full ReferenceZhang, Gangtai, Zhao, Yaru, Bai, Tingting, Wei, Qun, Yuan, Yuquan (2016) A new hard phase and physical properties of Tc2C predicted from first principles. RSC Advances, 6 (70). 66066-66073 doi:10.1039/c6ra11786d
Plain TextZhang, Gangtai, Zhao, Yaru, Bai, Tingting, Wei, Qun, Yuan, Yuquan (2016) A new hard phase and physical properties of Tc2C predicted from first principles. RSC Advances, 6 (70). 66066-66073 doi:10.1039/c6ra11786d
In(2016) RSC Advances Vol. 6 (70) Royal Society of Chemistry (RSC)

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Bai, Tingting, Zhang, Gangtai, Zhao, Yaru, Chen, Lei, Mu, Baoxia, Han, Yuefeng, Wei, Qun (2020) First-principles prediction of crystal structure and physical properties of ScB3. Molecular Physics, 118. doi:10.1080/00268976.2019.1603411
Zhang, Gangtai, Gao, Rui, Zhao, Yaru, Bai, Tingting, Hu, Yanfei (2017) First-principles investigation on crystal structure and physical properties of HfB4. Journal of Alloys and Compounds, 723. 802-810 doi:10.1016/j.jallcom.2017.06.303
Zhang, Gangtai, Song, Yunmei, Bai, Tingting, Zhang, Meng, Liu, Ting (2023) Crystal structure and physical properties of Ti2B5 predicted by first principles calculations. Computational Materials Science, 228. Elsevier BV. 112379 doi:10.1016/j.commatsci.2023.112379
Zhang, Meiguang, Yan, Haiyan, Zhang, Gangtai, Wei, Qun, Wang, Hui (2012) Tetragonal high-pressure phase of InI predicted from first principles. Physica B: Condensed Matter, 407 (3). 398-402 doi:10.1016/j.physb.2011.11.005
Zhang, Gangtai; Bai, Tingting; Fan, Yaofei; Wei, Qi; Tang, Chen (2025) Theoretical investigation on crystal structures and mechanical properties of V2B5 from first-principles. Computational Materials Science, 258. doi:10.1016/j.commatsci.2025.114081
Zhang, Meiguang, Yan, Haiyan, Zhang, Gangtai, Wang, Hui (2012) Ultra-incompressible Orthorhombic Phase of Osmium Tetraboride (OsB4) Predicted from First Principles. The Journal of Physical Chemistry C, 116 (6). 4293-4297 doi:10.1021/jp2106378
Yan, Qian, Wang, Yuan Xu, Wang, Bing, Yang, Jueming, Yang, Gui (2015) The ground-state structure and physical properties of ReB3 and IrB3 predicted from first principles. RSC Advances, 5 (33). 25919-25928 doi:10.1039/c5ra00810g
Wang, Dandan, Han, DongXue, Liu, Lei, Niu, Li (2016) Structure and electronic properties of C2N/graphene predicted by first-principles calculations. RSC Advances, 6 (34). 28484-28488 doi:10.1039/c5ra26873g
Wang, Bing, Wang, De Yu, Wang, Yuan Xu (2013) A new hard phase of ReB4 predicted from first principles. Journal of Alloys and Compounds, 573. 20-26 doi:10.1016/j.jallcom.2013.03.181
Wei, Qun, Zhao, Chenyang, Zhang, Meiguang, Yan, Haiyan, Wei, Bing, Peng, Xihong (2019) New stable structures of HeN3 predicted using first-principles calculations. Journal of Alloys and Compounds, 800. 505-511 doi:10.1016/j.jallcom.2019.06.035
Zhang, Xiu-Qing, Zeng, Zhao-Yi, Cheng, Yan, Ji, Guang-Fu (2016) Lattice dynamics, phonon vibrational spectra, and thermal properties of tetragonal SrPt3P: a first-principles study. RSC Advances, 6 (32). 27060-27067 doi:10.1039/c5ra24600h
 
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