skip to main content

DOE PAGESDOE PAGES

Title: What is the valence of Mn in Ga 1-xMn xN?

Motivated by the potential high Curie temperature of Ga 1-xMn xN, we investigate the controversial Mn valence in this diluted magnetic semiconductor. From a first-principles Wannier-function analysis of the high energy Hilbert space, we find unambiguously the Mn valence to be close to 2+(d 5), but in a mixed spin configuration with average magnetic moments of 4µ B. By integrating out high-energy degrees of freedom differently, we further demonstrate the feasibility of both effective d 4 and d 5 descriptions. These two descriptions offer simple pictures for local and extended properties of the system, and highlight the dual nature of its doped hole. Specifically, in the effective d 5 description, we demonstrate novel physical effects absent in previous studies. Thus, our derivation highlights the richness of low-energy sectors in interacting many-body systems and the generic need for multiple effective descriptions.
Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Louisiana State Univ., Baton Rouge, LA (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States); State Univ. of New York, Stony Brook, NY (United States)
Publication Date:
Report Number(s):
BNL-111797-2016-JA
Journal ID: ISSN 0031-9007; PRLTAO
Grant/Contract Number:
AC05-00OR22725; AC02-98CH10886; SC00112704
Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 115; Journal Issue: 19; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1225424
Alternate Identifier(s):
OSTI ID: 1225231; OSTI ID: 1240596