✦ LIBER ✦

Comparative First-Principles Study of Structural and Optical Properties of Alkali Metal Azides

✍ Scribed by Zhu, Weihua; Xiao, Jijun; Xiao, Heming

Book ID: 126193354
Publisher: American Chemical Society
Year: 2006
Tongue: English
Weight: 170 KB
Volume: 110
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp0612275

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Comparative First-Principles Study of St

Comparative First-Principles Study of Structural and Optical Properties of Alkali Metal Azides.

✍ Weihua Zhu; Jijun Xiao; Heming Xiao 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 9 KB 👁 1 views

A first-principles study of elastic prop

A first-principles study of elastic properties of alkali-metal oxides

✍ Yu. N. Zhuravlev; O. S. Obolonskaya 📂 Article 📅 2011 🏛 Springer 🌐 English ⚖ 260 KB

First-principles study of structural, el

First-principles study of structural, electronic and optical properties of orthorhombic

✍ Qi-Jun Liu; Zheng-Tang Liu; Yun-Fang Liu; Li-Ping Feng; Hao Tian; Jian-Gang Ding 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 907 KB

We have investigated the structural parameters, electronic structure and optical properties of orthorhombic SrZrO 3 using the plane-wave ultrasoft pseudopotential technique based on the first-principles densityfunctional theory (DFT). Our calculated structural parameters are in good agreement with t

Structural, Electronic, and Optical Prop

Structural, Electronic, and Optical Properties of Noble Metal Clusters from First Principles

✍ Serdar Öğüt; Juan C. Idrobo; Julius Jellinek; Jinlan Wang 📂 Article 📅 2006 🏛 Springer 🌐 English ⚖ 557 KB

Electronic and optical properties of alk

Electronic and optical properties of alkali metal selenides in anti-CaF2 crystal structure from first-principles

✍ S.M. Alay-e-Abbas; N. Sabir; Y. Saeed; A. Shaukat 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 565 KB

First principles study of structural, el

First principles study of structural, electronic and optical properties of KCl crystal

✍ Z.J. Chen; H.Y. Xiao; X.T. Zu 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 997 KB