New solid-state table: estimating d-band characteristics for transition metal atoms

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Nitrides: Transition Metal Solid-State Chemistry

Together with the transition metal carbides and borides, the transition metal nitrides belong to a family of materials that features an unusual combination of outstanding properties, among which are exceptional hardness, high melting point, metallic luster with sometimes vivid colors, and simple metallic structures combined with excellent electrical and thermal conductivities. This combination ...

متن کامل

Solid-state electroluminescent devices based on transition metal complexes.

Transition metal complexes have emerged as promising candidates for applications in solid-state electroluminescent devices. These materials serve as multifunctional chromophores, into which electrons and holes can be injected, migrate and recombine to produce light emission. Their device characteristics are dominated by the presence of mobile ions that redistribute under an applied field and as...

متن کامل

White lines and d-band occupancy for the 3d transition-metal oxides and lithium transition-metal oxides

Jason Graetz,1 Channing C. Ahn,1 Hao Ouyang,2 Peter Rez,3 and Brent Fultz1 1Division of Engineering and Applied Science M/C 138-78, California Institute of Technology, Pasadena, California 91125, USA 2National Chung Hsing University, Department of Materials Engineering, Taichung, Taiwan 402, Republic of China 3Department of Physics and Astronomy and CSSS, Arizona State University, Tempe, Arizon...

متن کامل

Analysis of optimized effective potentials for multiplet states of 3 d transition metal atoms

We apply the optimized effective potential method (OPM) to the multiplet energies of the 3d n transition metal atoms, where the orbital dependence of the energy functional with respect to orbital wave function is the single-configuration HF form. We find that the calculated OPM exchange potential can be represented by the following two forms. Firstly, the difference between OPM exchange potenti...

متن کامل

Ring state for single transition metal atoms on boron nitride on Rh(111).

The low-temperature adsorption of isolated transition metal adatoms (Mn, Co, and Fe) onto hexagonal boron nitride monolayers on Rh(111) creates a bistable adsorption complex. The first state considerably weakens the hexagonal boron nitride- (h-BN-) substrate bond for 60 BN unit cells, leading to a highly symmetric ring in STM images, while the second state is imaged as a conventional adatom and...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Molecular Simulation

سال: 2010

ISSN: 0892-7022,1029-0435

DOI: 10.1080/08927022.2010.481794