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Part A: Materials Science

Theoretical predictions of the structural, mechanical and lattice dynamical properties of XW2 (X = Zr, Hf) Laves phases

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Pages 1379-1392 | Received 09 Jun 2013, Accepted 16 Jan 2014, Published online: 03 Apr 2014

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Nuhibe Turkdal, Engin Deligoz, Haci Ozisik & Havva Bogaz Ozisik. (2017) First-principles studies of the structural, elastic, and lattice dynamical properties of ZrMo2 and HfMo2. Phase Transitions 90:6, pages 598-609.
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Pratik Kumar Das, Anjan Chowdhury, Nibir Mandal & A. Arya. (2016) First-principles characterisation of the pressure-dependent elastic anisotropy of SnO2 polymorphs. Philosophical Magazine 96:18, pages 1861-1882.
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Wen-Cheng Hu, Yong Liu, De-Jiang Li, Ke Li, Hua-Lan Jin, Ying-Xuan Xu, Chun-Shui Xu & Xiao-Qin Zeng. (2014) A first-principles study on structural stability and mechanical properties of polar intermetallic phases CaZn2 and SrZn2. Philosophical Magazine 94:34, pages 3945-3959.
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Articles from other publishers (16)

Pan Li, Jinmao Chen, Long Huang & Jianxin Zhang. (2023) Site occupancy and electronic properties of NbCo2 Laves phases doped with Re. Computational and Theoretical Chemistry 1230, pages 114389.
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Bachir Dehina, Ibn Khaldoun Lefkaier, Mohamed Abdelilah Fadla, Ali Benghia & Souraya Goumri-Said. (2023) First-principles calculations to investigate elastic anisotropy, lattice dynamic, and thermodynamic properties of Hf-W and Hf-Mo laves phase. The European Physical Journal Plus 138:5.
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Huseyin Yasin UZUNOK. (2020) The Effect of Spin-Orbit Interaction On Structural and Electronic Properties of ScIr2. Sakarya University Journal of Science 24:2, pages 406-411.
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Saad Tariq, AA Mubarak, Saher Saad, M Imran Jamil & S M Sohail Gilani. (2019) Quantum density functional theory studies of structural, elastic, and opto-electronic properties of ZMoO 3 (Z = Ba and Sr) under pressure . Chinese Physics B 28:6, pages 066101.
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Uttam Kumar Chowdhury & Tapas Chandra Saha. (2019) An ab-initio Investigation: The Physical Properties of ScIr2 Superconductor. Physics of the Solid State 61:4, pages 530-536.
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Jelena Zagorac, Dejan Zagorac, Dušica Jovanović, Jelena Luković & Branko Matović. (2018) Ab initio investigations of structural, electronic and mechanical properties of aluminum nitride at standard and elevated pressures. Journal of Physics and Chemistry of Solids 122, pages 94-103.
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Md. Zahidur Rahaman & Md. Atikur Rahman. (2018) Investigation of the physical properties of two Laves phase compounds HRh 2 (H = Ca and La): A DFT study . International Journal of Modern Physics B 32:12, pages 1850149.
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Md. Ibrahim Kholil, Md. Zahidur Rahaman & Md. Atikur Rahman. (2017) First principles study of the structural, elastic, electronic, optical and thermodynamic properties of SrRh 2 laves phase intermetallic compound. Computational Condensed Matter 13, pages 65-71.
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Peiyu Cao, Fuyang Tian & Yandong Wang. (2017) Effect of Mo on the phase stability and elastic mechanical properties of Ti–Mo random alloys from ab initio calculations . Journal of Physics: Condensed Matter 29:43, pages 435703.
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Junyan Wu, Bo Zhang & Yongzhong Zhan. (2017) Intrinsic Properties and Structure of AB2 Laves Phase ZrW2. Metallurgical and Materials Transactions A 48:6, pages 3082-3089.
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Ma Lishi, Duan Yonghua & Li Runyue. (2017) Structural, elastic and electronic properties of C14-type Al2M (M=Mg, Ca, Sr and Ba) Laves phases. Physica B: Condensed Matter 507, pages 147-155.
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Md. Zahidur Rahaman & Md. Atikur Rahman. (2016) Novel Laves phase superconductor NbBe 2 : A theoretical investigation. Computational Condensed Matter 8, pages 7-13.
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Haci Ozisik, Engin Deligoz, Gokhan Surucu & Havva Bogaz Ozisik. (2016) Anisotropic elastic and vibrational properties of Ru 2 B 3 and Os 2 B 3 : a first-principles investigation . Materials Research Express 3:7, pages 076501.
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Yong Pan, Huawei Huang, Xia Wang & Yuanhua Lin. (2015) Phase stability and mechanical properties of hafnium borides: A first-principles study. Computational Materials Science 109, pages 1-6.
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Shuai Chen, Yong Sun, Yong-Hua Duan, Bo Huang & Ming-Jun Peng. (2015) Phase stability, structural and elastic properties of C15-type Laves transition-metal compounds MCo2 from first-principles calculations. Journal of Alloys and Compounds 630, pages 202-208.
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Yong Liu, Wen-Cheng Hu, De-Jiang Li, Ke Li, Hua-Lan Jin, Ying-Xuan Xu, Chun-Shui Xu & Xiao-Qin Zeng. (2015) Mechanical, electronic and thermodynamic properties of C14-type AMg2 (A=Ca, Sr and Ba) compounds from first principles calculations. Computational Materials Science 97, pages 75-85.
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