Fermi surface nesting and intrinsic resistivity of beryllium: First-principles calculations

2019 ◽  
Vol 100 (4) ◽  
Author(s):  
Zhe Liu ◽  
Mingfeng Zhu ◽  
Yisong Zheng
Keyword(s):  
Fermi Surface ◽  
First Principles ◽  
First Principles Calculations ◽  
Fermi Surface Nesting

First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides

2008 ◽  
Vol 77 (18) ◽  
Author(s):  
Jesse Noffsinger ◽  
Feliciano Giustino ◽  
Steven G. Louie ◽  
Marvin L. Cohen
Keyword(s):  
Transition Metal ◽  
Fermi Surface ◽  
First Principles ◽  
Metal Carbides ◽  
Transition Metal Carbides ◽  
First Principles Study ◽  
Fermi Surface Nesting

Interaction of Magnetic Impurities with Surfaces

1997 ◽  
Vol 475 ◽  
Author(s):  
L. Szunyogh ◽  
B.L. Györffy
Keyword(s):  
Thin Films ◽  
Fermi Surface ◽  
Magnetic Anisotropy ◽  
First Principles ◽  
Anisotropy Constant ◽  
Thickness Dependence ◽  
Magnetic Impurities ◽  
First Principles Calculations ◽  
Spin Polarized ◽  
Fe Impurity

ABSTRACTThe interaction of a magnetic (Fe) impurity with the surface of a non-magnetic (Au) semi-infinite host is investigated in terms of fully relativistic spin-polarized first principles calculations. It is shown that the surface induces a magnetic anisotropy on the impurity which is considerably larger than in the bulk. It is also found that the anisotropy constant K(d) is an oscillating function of the distance d between the impurity and the surface with an amplitude which falls as 1/d2 and a period which is determined by the shape of the Fermi Surface of the bulk Au host. However, the question still remains open whether the magnitude of the anisotropy energy is sufficiently large to explain the thickness dependence of the Kondo amplitude B in thin films of dilute FecAu1-c alloys.

scholarly journals Metal–insulator-like transition, superconducting dome and topological electronic structure in Ga-doped Re3Ge7

2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Yanwei Cui ◽  
Siqi Wu ◽  
Qinqing Zhu ◽  
Guorui Xiao ◽  
Bin Liu ◽  
...  
Keyword(s):  
Phase Transition ◽  
First Principles ◽  
Hole Doping ◽  
First Principles Calculations ◽  
Metal Insulator ◽  
Topological Materials ◽  
Maximum Value ◽  
Fermi Surface Nesting ◽  
Ga Doping ◽  
Rare Opportunity

AbstractSuperconductivity frequently appears by doping compounds that show a collective phase transition. So far, however, this has not been observed in topological materials. Here we report the discovery of superconductivity induced by Ga doping in orthorhombic Re3Ge7, which undergoes a second-order metal–insulator-like transition at ~58 K and is predicted to have a nontrivial band topology. It is found that the substitution of Ga for Ge leads to hole doping in Re3Ge7−xGax. As a consequence, the phase transition is gradually suppressed and disappears above x = 0.2. At this x value, superconductivity emerges and Tc exhibits a dome-like doping dependence with a maximum value of 3.37 K at x = 0.25. First principles calculations suggest that the phase transition in Re3Ge7 is associated with an electronic instability driven by Fermi-surface nesting and the nontrival band topology is preserved after Ga doping. Our results indicate that Ga-doped Re3Ge7 provides a rare opportunity to study the interplay between superconductivity and competing electronic states in a topologically nontrivial system.

scholarly journals Structure, lattice dynamics and Fermi surface of the magnetic shape memory system Co–Ni–Ga from first principles calculations

2010 ◽  
Vol 10 ◽  
pp. 138-143
Author(s):  
M. Siewert ◽  
M.E. Gruner ◽  
A. Dannenberg ◽  
P. Entel
Keyword(s):  
Fermi Surface ◽  
Shape Memory ◽  
First Principles ◽  
Lattice Dynamics ◽  
Memory System ◽  
First Principles Calculations ◽  
Magnetic Shape Memory

Electronic Structure Under Extreme Uniaxial Strains: Conductance in Metallic Nanocontacts.

1997 ◽  
Vol 499 ◽  
Author(s):  
Daniel Sánchez-Portal ◽  
Carlos Untiedt ◽  
José M. Soler ◽  
Juan J. Sáenz ◽  
Nicolas Agraït
Keyword(s):  
Electronic Structure ◽  
Fermi Surface ◽  
First Principles ◽  
Free Electron ◽  
Electron Gas ◽  
Uniaxial Stress ◽  
First Principles Calculations

ABSTRACTIn this work we address the behaviour of electronic structure under uniaxial stress, by first-principles calculations and experiments of conductance in nanometer-sized metallic contactes of Au and Al. These contacts are shown to be specially suitable for this purpose. The conductance behaviour is related to the change with strain of Fermi surface. Both experimental and theoretically Au behaves like the free electron gas but Al has the opposite behaviour.

First-principles identification of quasi-two-dimensional Fermi surface nesting on a metallicc(2×2)−In/Cu(001)surface

2002 ◽  
Vol 66 (7) ◽  
Author(s):  
Xing Gao ◽  
Yu-mei Zhou ◽  
Si-cheng Wu ◽  
Ding-sheng Wang
Keyword(s):  
Fermi Surface ◽  
First Principles ◽  
Two Dimensional ◽  
Fermi Surface Nesting
Sign in / Sign up

Export Citation Format

Share Document