E-resources
-
Jhalani, Vatsal A.; Zhou, Jin-Jian; Park, Jinsoo; Dreyer, Cyrus E.; Bernardi, Marco
Physical review letters, 09/2020, Volume: 125, Issue: 13Journal Article
First-principles calculations of e− ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) e− ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar materials, is not accurately described at present. Current calculations include short-range e− ph interactions (obtained by interpolation) and the dipolelike Frölich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range e− ph interaction due to dynamical quadrupoles, and apply this framework to investigate e− ph interactions and the carrier mobility in the PE material wurtzite GaN. We show that the quadrupole contribution is essential to obtain accurate e− ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing e− ph interactions for acoustic modes from first principles, and enables studies of e− ph coupling and charge transport in PE materials.
Shelf entry
Permalink
- URL:
Impact factor
Access to the JCR database is permitted only to users from Slovenia. Your current IP address is not on the list of IP addresses with access permission, and authentication with the relevant AAI accout is required.
Year | Impact factor | Edition | Category | Classification | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Select the library membership card:
If the library membership card is not in the list,
add a new one.
DRS, in which the journal is indexed
Database name | Field | Year |
---|
Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
---|
Source: Personal bibliographies
and: SICRIS
The material is available in full text. If you wish to order the material anyway, click the Continue button.