✦ LIBER ✦

First principles investigation of electronic structure and associated properties of zinc orthosilicate phosphors

✍ Scribed by K.C. Mishra; K.H. Johnson; B.G. DeBoer; J.K. Berkowitz; J. Olsen; E.A. Dale

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 891 KB
Volume: 47
Category: Article
ISSN: 0022-2313
DOI: 10.1016/0022-2313(91)90012-k

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles study of electronic str

First-principles study of electronic structure and magnetic properties of

✍ Lang Sun; Guangshe Li; Wendan Cheng; Liping Li 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 613 KB

Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th

First-principles investigations of struc

First-principles investigations of structural, electronic and magnetic properties of cubic LaMnO3

✍ M. Dine El Hannani; D. Rached; M. Rabah; R. Khenata; N. Benayad; M. Hichour; A. 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 211 KB

ChemInform Abstract: Structural Stabilit

ChemInform Abstract: Structural Stability and Elastic and Electronic Properties of Rhenium Borides: First Principle Investigations.

✍ Huiyang Gou; Zhibin Wang; Jingwu Zhang; Shuting Yan; Faming Gao 📂 Article 📅 2009 🏛 John Wiley and Sons ⚖ 15 KB 👁 1 views

Electronic structures and optical proper

Electronic structures and optical properties of by first-principle calculations

✍ Z.B. Li; X. Wang; K.L. Yao 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 312 KB

First-principle calculations on the electronic structures and magnetic properties of Na doped in CuInSe 2 with different percentages reveal that the parameters and band gap increase with increasing Na. It reveals that the band gap increases 0.114 eV for 1/8 Cu replaced by Na, which exists in good ag

Electronic structure and decomposition p

Electronic structure and decomposition pathways of monoammoniate of lithium borohydride : A first-principles investigation

✍ B. Zhong; X.X. Huang; G. Wen; X.D. Zhang; H.W. Bai; T. Zhang; H.M. Yu 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 455 KB

First-principles investigation of Cr dop

First-principles investigation of Cr doping effects on the structural, magnetic and electronic properties in

✍ L. Wang; L. Hua; L.F. Chen 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 483 KB

We have investigated the structural, magnetic, and electronic properties of SrRu 1-x Cr x O 3 , using firstprinciples density functional theory within the generalized gradient approximation (GGA) + U schemes. The entire series of SrRu 1-x Cr x O 3 (x = 0, 0.125, 0.25, 0.5) are stabilized in the pero