Generalized Tight-Binding Method for Correlated-Electron Structure in Transition-Metal Oxides

被引：0

作者：

Gavrichkov, V. A. ^{[1
]}

Ovchinnikov, S. G. ^{[1
]}

Yakimov, L. E. ^{[1
]}

机构：

[1] Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

来源：

PHYSICS OF METALS AND METALLOGRAPHY | 2005年 / 100卷

关键词：

D O I：

暂无

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

We develop a generalized tight-binding method to carry out a comparative study of the band structure of the transition-metal oxides (LaSr)MnO3 and (LaSr)(2)CuO4. In both materials, we observe in-gap states separated by a subgap from the top of the valence band. The subgap appears in the antiferromagnetic (AFM) phase of the copper oxides and in the paramagnetic (PM) phase of the manganites containing structural distortions. The method suggested permits us to reproduce the dispersion relation near the top of the valence band of both the materials.

引用

页码：S104 / S107

页数：4

共 50 条

[31] Tight-binding Ising-model study of chemisorption effects on surface segregation in transition-metal alloys
Modrak, P
SURFACE SCIENCE, 1996, 349 (01) : L128 - L132
[32] A TIGHT-BINDING STUDY OF ENERGY-LEVELS OF SUBSTITUTIONAL TRANSITION-METAL ATOMS IN SRTIO3
SELME, MO
PECHEUR, P
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1985, 18 (03): : 551 - 562
[33] CALCULATION OF ELECTRONIC AND MAGNETIC-PROPERTIES OF TRANSITION-METAL SURFACES - COMPARISON OF LMTO AND TIGHT-BINDING METHODS
FABRICIUS, G
LLOIS, AM
WEISSMANN, M
KHAN, MA
PHYSICAL REVIEW B, 1994, 49 (03): : 2121 - 2126
[34] Tight-binding Ising-model study of chemisorption effects on surface segregation in transition-metal alloys
Polish Acad of Sciences, Warsaw, Poland
Surf Sci, 1 (L128-L132):
[35] Comparative analysis of tight-binding models for transition metal dichalcogenides
Jorissen, Bert
Covaci, Lucian
Partoens, Bart
SCIPOST PHYSICS CORE, 2024, 7 (01):
[36] Ab initio tight-binding Hamiltonian for transition metal dichalcogenides
Fang, Shiang
Defo, Rodrick Kuate
Shirodkar, Sharmila N.
Lieu, Simon
Tritsaris, Georgios A.
Kaxiras, Efthimios
PHYSICAL REVIEW B, 2015, 92 (20)
[37] LDA plus GTB (generalized tight-binding) method for the electronic structure calculations of strongly correlated electron systems: Application for the band structure calculations of p-type cuprates
Korshunov, Maxim M.
Ovchinnikov, Sergey G.
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS, 2007, 460 : 1018 - 1019
[38] Lang-Firsov Transformation in the Generalized Tight-binding Method
Dudarev, Alexander, V
Shneyder, Elena I.
JOURNAL OF SIBERIAN FEDERAL UNIVERSITY-MATHEMATICS & PHYSICS, 2023, 16 (06): : 780 - 785
[39] ENERGY BAND STRUCTURE OF LITHIUM BY TIGHT-BINDING METHOD
LAFON, EE
LIN, CC
PHYSICAL REVIEW, 1966, 152 (02): : 579 - &
[40] Correlated-electron physics in transition-melal oxides (vol 56, pg 50, 2003)
Tokura, Y
PHYSICS TODAY, 2003, 56 (08) : 14 - 14

← 1 2 3 4 5 →