✦ LIBER ✦

Elastic and thermodynamic properties of TiC from first-principles calculations

✍ Scribed by YanHong Li; WanFeng Wang; Bo Zhu; Ming Xu; Jun Zhu; YanJun Hao; WeiHu Li; XiaoJiang Long

Book ID: 107364125
Publisher: Science in China Press (SCP)
Year: 2011
Tongue: English
Weight: 583 KB
Volume: 54
Category: Article
ISSN: 1672-1799
DOI: 10.1007/s11433-011-4500-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structural, elastic, electronic, and the

Structural, elastic, electronic, and thermodynamic properties of PrN from first principles calculations

✍ B. Kocak; Y.O. Ciftci; K. Colakoglu; E. Deligoz 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 743 KB

Structural and thermodynamic properties

Structural and thermodynamic properties of Os from first-principles calculations

✍ Chun-Mei Liu; Yan Cheng; Bo Zhu; Guang-Fu Ji 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 364 KB

First-principles calculations of the ela

First-principles calculations of the elastic, phonon and thermodynamic properties of Al12Mg17

✍ H. Zhang; S.L. Shang; Y. Wang; A. Saengdeejing; L.Q. Chen; Z.K. Liu 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 613 KB

Vibrational and thermodynamic properties

Vibrational and thermodynamic properties of Ni3S2polymorphs from first-principles calculations

✍ Yonggang G. Yu; Nancy L. Ross 📂 Article 📅 2010 🏛 Springer-Verlag 🌐 English ⚖ 630 KB

Mechanical stability and thermodynamic p

Mechanical stability and thermodynamic properties of OsC from first-principles calculations

✍ Chunlei Wang; Changqing Wang; Benhai Yu; Dong Chen 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 305 KB

First-principles calculations of elastic

First-principles calculations of elastic properties of LiBC

✍ Zhong-li Liu; Xiang-Rong Chen; Yong-Liang Wang 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 170 KB

We employ all-electron full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) to calculate the equilibrium lattice parameters, five independent elastic constants and Debye temperature of LiBC. The equilibrium lattice parameters obtained are