Mott Metal-Insulator Transition from Steady-State Density Functional Theory

نویسندگان
چکیده

برای دانلود رایگان 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

Spectral density and metal-insulator phase transition in Mott insulators within reduced density matrix functional theory.

We present a method for calculating the spectrum of periodic solids within reduced density matrix functional theory. This method is validated by a detailed comparison of the angular momentum projected spectral density with that of well-established many-body techniques, finding very good agreement in all cases. The physics behind the pressure induced insulator-metal phase transition in MnO is in...

متن کامل

Metal-insulator Transition (scaling Theory)

In this paper I brieey discuss the concepts of localization and metal-insulator transition. The phenomenological description of the conducting properties depending on the dimensionality and disorder, and the physical arguments for the scaling-function are presented. The conducting properties of the 3D system near the critical point of the metal-insulator transition predicted by this scaling mod...

متن کامل

Steam reforming on transition-metal carbides from density-functional theory

A screening study of the steam reforming reaction on clean and oxygen covered early transitionmetal carbides surfaces is performed by means of density-functional theory calculations. It is found that carbides provide a wide spectrum of reactivities, from too reactive via suitable to too inert. Several molybdenum-based systems are identified as possible steam reforming catalysts. The findings su...

متن کامل

A surface-tailored, purely electronic, mott metal-to-insulator transition.

Mott transitions, which are metal-insulator transitions (MITs) driven by electron-electron interactions, are usually accompanied in bulk by structural phase transitions. In the layered perovskite Ca(1.9)Sr(0.1)RuO4, such a first-order Mott MIT occurs in the bulk at a temperature of 154 kelvin on cooling. In contrast, at the surface, an unusual inherent Mott MIT is observed at 130 kelvin, also o...

متن کامل

Mott physics near the insulator-to-metal transition in NdNiO3.

An optical study of NdNiO(3) ultrathin films with insulating and metallic ground states reveals new aspects of the insulator-to-metal transition that point to Mott physics as the driving force. In contrast with the behavior of charge-ordered systems, we find that the emergence of the Drude resonance across the transition is linked to a spectral weight transfer over an energy range of the order ...

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: Physical Review Letters

سال: 2020

ISSN: 0031-9007,1079-7114

DOI: 10.1103/physrevlett.125.216401