✦ LIBER ✦

First principles study of structural and electronic properties of cubic phase of ZrO2 and HfO2

✍ Scribed by Yang, Yong-Liang; Fan, Xiao-Li; Liu, Chong; Ran, Run-Xin

Book ID: 121343637
Publisher: Elsevier Science
Year: 2014
Tongue: English
Weight: 659 KB
Volume: 434
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2013.10.037

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles study of structural, op

First-principles study of structural, optical and elastic properties of cubic HfO2

✍ Qijun Liu; Zhengtang Liu; Liping Feng; Bing Xu 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 288 KB

The structural, optical and elastic properties of cubic HfO 2 were studied using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The groundstate properties such as lattice parameter and bulk modulus were calculated and these results a

Structural and electronic properties of

Structural and electronic properties of cubic HfO2 surfaces

✍ G.H. Chen; Z.F. Hou; X.G. Gong 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 331 KB

First-principles calculations of electro

First-principles calculations of electronic and optical properties of Mn-doped cubic HfO2

✍ Zhang, Yu-Fen; Ren, Hao; Hou, Zhi-Tao; Wang, Cheng; Zhao, Shuai 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 653 KB

First-principles study of structural, el

First-principles study of structural, electronic and optical properties of BaF2 in its cubic, orthorhombic and hexagonal phases

✍ Jiang, Huitian; Pandey, Ravindra; Darrigan, Clovis; R rat, Michel 📂 Article 📅 2003 🏛 Institute of Physics 🌐 English ⚖ 168 KB

Structural and Electronic Properties of

Structural and Electronic Properties of ZrxAl1−xN in Cubic Phase Using First Principles

✍ Edgardo D. Gutiérrez-Senior… 📂 Article 📅 2012 🏛 Springer 🌐 English ⚖ 395 KB

First principles study of structural, el

First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi

✍ Manish K. Niranjan 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 899 KB